data_2ly0_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 2ly0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.803 0.335 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.44 -45.18 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.515 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.02 95.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.43 82.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.854 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -63.97 -41.91 97.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.484 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.34 -42.92 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.07 -43.74 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.24 -42.5 99.31 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.26 -43.41 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.511 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -38.97 90.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.038 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.472 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.6 t60 -58.72 -41.18 85.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -61.56 -38.06 86.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.96 -45.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.784 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -71.19 -44.88 64.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.805 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.1 t90 -66.33 -38.7 88.26 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.6 0.238 . . . . 0.0 110.874 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.6 -42.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.22 -42.51 91.15 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.23 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 45.3 t0 -62.35 -38.98 91.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.178 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 20.5 mmm180 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.759 0.314 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.49 -45.14 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.3 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.5 81.61 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.833 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.98 -41.86 97.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.394 . . . . 0.0 110.563 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.32 -42.94 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.26 -43.61 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.473 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.47 99.13 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.21 -43.38 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.17 -38.86 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.461 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.5 t60 -58.74 -41.18 85.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.95 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.427 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.0 mt -61.63 -38.06 86.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.98 -45.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.92 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.25 -44.82 64.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.805 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.1 t90 -66.29 -38.77 88.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 110.873 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.59 -42.27 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.02 -42.5 90.31 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.358 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.445 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 45.3 t0 -62.42 -39.0 91.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 0.0 110.161 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.31 -45.11 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.13 95.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.69 81.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.795 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.589 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.3 -42.97 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -62.14 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.481 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.2 -42.41 99.38 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.39 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.21 -38.79 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.039 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.477 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.5 t60 -58.69 -41.22 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.072 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.416 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.61 -38.11 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.81 -45.84 94.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.06 -44.87 64.88 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.461 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.0 t90 -66.42 -38.62 87.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.549 0.214 . . . . 0.0 110.844 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.53 -42.38 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.96 -42.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.299 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.34 -38.93 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.032 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.38 -45.29 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.04 95.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.59 81.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.9 -41.91 97.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.349 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -42.97 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -62.06 -43.79 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.46 99.31 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.4 -43.33 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -39.0 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.097 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.472 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.6 t60 -58.66 -41.22 85.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.995 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.44 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.0 mt -61.44 -38.15 86.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -45.66 94.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.822 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.2 -44.83 64.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.477 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.0 t90 -66.4 -38.73 88.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.603 0.24 . . . . 0.0 110.872 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -42.21 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.27 -42.41 91.14 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.236 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.479 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 45.7 t0 -62.45 -39.0 91.94 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.11 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.03 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.724 0.297 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.03 -42.59 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.532 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.55 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.653 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.85 -42.39 94.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.05 -44.12 95.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.1 mt -64.14 -43.67 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -44.8 97.26 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.01 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 0.0 110.125 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.02 -38.47 86.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.887 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.22 -41.96 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.825 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.98 -39.86 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -44.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.518 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.56 -43.51 59.69 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.137 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.3 t90 -66.98 -45.86 76.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.575 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 16.4 tt -64.99 -44.11 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.416 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 83.0 mt -65.49 -41.99 92.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.454 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.724 0.297 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -69.22 -42.38 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.578 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.78 -42.52 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.628 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.403 HD12 HG22 ' B' ' 32' ' ' ILE . 97.2 mt -65.01 -44.02 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 110.563 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.18 -43.88 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.88 97.21 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.83 -42.85 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.06 0.457 . . . . 0.0 110.173 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.11 -38.45 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.999 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.48 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.95 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.909 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.68 -40.06 90.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.059 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.512 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.37 -43.75 60.0 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.171 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -66.88 -45.87 76.72 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.576 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 16.3 tt -65.02 -44.04 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.413 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 82.4 mt -65.47 -42.0 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.01 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.58 -42.64 99.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.0 -42.48 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.61 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.92 -42.49 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.97 -44.01 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -64.25 -43.58 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -44.71 97.33 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.01 -42.81 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.944 0.402 . . . . 0.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.95 -38.55 86.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.917 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.8 t60 -58.19 -41.92 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.923 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.87 -39.9 90.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.144 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.13 -44.5 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.591 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.53 -43.5 59.84 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.428 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -67.03 -45.82 76.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.593 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 16.4 tt -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.421 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 83.0 mt -65.4 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.6 -42.62 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.661 0.267 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.2 -42.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.52 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.499 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.89 -42.52 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.87 -44.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 89.9 mt -64.19 -43.67 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.66 97.41 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.02 -42.81 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.95 -38.63 86.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.919 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.467 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.28 -41.86 85.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.872 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.78 -39.94 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.24 -44.44 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.506 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.5 -43.7 59.52 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.087 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.3 t90 -66.82 -45.94 76.72 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.563 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 16.3 tt -64.92 -44.02 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.462 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.441 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 82.5 mt -65.6 -41.81 92.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.954 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.73 -42.73 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.467 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.755 0.312 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.3 -44.31 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.375 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.61 78.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.092 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -40.88 70.64 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.453 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -68.85 -46.66 67.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 33' ' ' ILE . 20.1 tt -65.26 -42.39 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.436 ' N ' ' CG2' ' A' ' 32' ' ' ILE . 81.6 mt -64.07 -43.84 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -45.52 95.03 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.51 -42.86 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.329 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.22 -40.97 95.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.486 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -58.12 -40.52 81.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.136 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 1.9 mt -59.88 -41.38 91.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.15 -47.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.168 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -66.22 -42.74 88.28 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.21 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.481 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.5 t90 -65.53 -40.92 93.46 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.64 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.82 -43.99 98.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.033 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.307 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.47 -40.68 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.804 179.591 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.29 -44.27 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.66 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.144 0.497 . . . . 0.0 110.224 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.02 70.68 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.434 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -68.82 -46.53 68.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.251 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' B' ' 33' ' ' ILE . 20.1 tt -65.41 -42.31 93.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.692 -179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.429 ' N ' ' CG2' ' B' ' 32' ' ' ILE . 83.1 mt -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.531 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.28 -45.63 94.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.41 -43.02 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.021 0.439 . . . . 0.0 110.367 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.05 -40.95 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.473 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.4 t60 -58.11 -40.5 81.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.101 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.44 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 2.0 mt -60.03 -41.28 91.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.35 -47.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.108 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.9 mm? -66.3 -42.84 87.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.162 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.486 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.37 -40.93 94.16 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.038 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -38.77 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.368 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.5 -40.85 79.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.274 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.586 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.37 -44.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.356 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.64 78.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.14 0.495 . . . . 0.0 110.262 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.99 70.91 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.88 -46.55 68.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.27 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' C' ' 33' ' ' ILE . 20.1 tt -65.3 -42.38 93.68 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.669 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.426 ' N ' ' CG2' ' C' ' 32' ' ' ILE . 82.0 mt -64.07 -43.69 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.66 94.68 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.46 -43.0 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.247 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.04 -41.09 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.485 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -57.92 -40.78 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.003 0.43 . . . . 0.0 110.117 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.427 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 2.0 mt -59.87 -41.21 91.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.605 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.29 -47.92 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.157 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 3.9 mm? -66.13 -42.72 88.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.287 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.473 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.6 t90 -65.57 -40.82 93.22 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.774 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.72 -44.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -38.75 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.323 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.41 -40.73 78.95 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.307 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.678 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.37 -44.32 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.74 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 0.0 110.233 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.19 -40.97 70.87 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.522 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -68.72 -46.66 68.35 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' D' ' 33' ' ' ILE . 20.1 tt -65.28 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.724 0.297 . . . . 0.0 110.726 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.427 ' N ' ' CG2' ' D' ' 32' ' ' ILE . 82.7 mt -63.98 -43.83 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.54 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.35 -45.39 95.15 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.67 -42.89 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.98 -41.05 95.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.049 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.481 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.3 t60 -58.04 -40.65 81.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 1.9 mt -59.88 -41.28 91.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.523 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.36 -47.9 88.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.978 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 3.9 mm? -66.22 -42.85 88.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.168 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.485 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.6 t90 -65.42 -40.92 93.93 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.715 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.75 -44.0 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.997 0.427 . . . . 0.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.82 92.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.46 -40.75 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.569 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.967 0.413 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.26 -44.63 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.04 84.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.279 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.216 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.83 -42.15 90.94 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.341 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.45 -43.91 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.459 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.35 82.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.453 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.18 -44.6 93.68 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.411 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.26 -38.94 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.753 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.4 t60 -58.63 -41.23 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.44 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.02 -38.85 87.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.09 -44.7 98.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.833 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.82 -43.55 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.535 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.507 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 89.4 t90 -68.51 -40.15 80.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.741 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.53 -43.33 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.5 -40.08 95.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.734 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.91 -43.82 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.459 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.19 -44.38 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.47 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.238 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -65.92 -41.96 90.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.365 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.64 -43.76 93.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.45 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.417 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.65 94.08 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.16 -39.11 88.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.116 0.484 . . . . 0.0 109.788 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.51 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -58.56 -41.17 85.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.543 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.11 -38.56 86.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.364 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 -44.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.921 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.9 -43.46 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.648 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.522 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 89.5 t90 -68.43 -40.21 81.27 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.44 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.96 -43.63 94.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.003 0.43 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.2 -44.56 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.593 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.83 83.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.63 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.253 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -65.89 -42.1 90.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.225 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.51 -43.89 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.495 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.34 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.439 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -44.5 93.8 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.33 -43.31 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.329 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.27 -38.96 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.825 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.509 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.2 t60 -58.62 -41.24 85.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.472 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.9 -38.79 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.296 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.27 -44.45 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.962 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.04 -43.43 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.602 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.5 t90 -68.5 -40.15 80.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.51 -43.36 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.48 -40.22 95.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.671 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.82 -43.72 94.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.399 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.501 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.5 mtt-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.34 -44.54 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.526 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.96 84.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.264 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.49 80.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -66.03 -41.9 90.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.119 -0.633 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.55 -43.87 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.49 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.416 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.68 94.13 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.19 -43.32 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.25 -38.99 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.506 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -58.71 -41.1 85.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.472 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.05 -38.65 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.332 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.96 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.84 -43.5 79.37 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.4 t90 -68.41 -40.31 81.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.31 -43.52 97.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.45 -40.08 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.742 0.306 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.32 -46.49 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.03 77.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.789 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.25 -41.92 96.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG23 HD13 ' A' ' 32' ' ' ILE . 97.1 mt -64.57 -43.99 96.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.462 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 83.6 mt -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -42.96 99.79 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.77 -43.13 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.52 -38.98 89.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.462 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.1 t60 -58.51 -41.39 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.183 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.21 -38.47 86.73 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.671 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.02 -45.37 95.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.928 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.69 -44.4 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.59 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -65.67 -39.27 91.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.9 -45.31 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.19 -39.5 92.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.904 0.383 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 85.8 m-20 -60.61 -45.13 95.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 59.2 ttm-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.612 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.707 0.289 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.23 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.503 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.73 88.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.751 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.02 -42.14 97.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.433 HD13 HG23 ' B' ' 32' ' ' ILE . 97.0 mt -64.33 -44.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.577 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.2 mt -62.93 -43.76 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.08 -42.87 99.93 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.88 -43.03 97.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.438 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.64 -38.76 88.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.469 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.0 t60 -58.46 -41.46 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.231 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.445 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 6.4 mt -61.27 -38.4 86.59 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.9 -45.72 94.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.889 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -71.38 -44.41 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.578 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.462 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.74 -39.25 90.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.97 -45.34 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 110.456 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.14 -39.58 93.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.528 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 87.5 m-20 -60.58 -45.05 95.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.435 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 59.1 ttm-85 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.29 -46.56 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.57 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.74 88.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.12 77.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -63.99 -42.12 97.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.39 -44.07 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 83.1 mt -63.04 -43.67 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.83 99.91 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.79 -43.14 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.402 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.69 -38.88 89.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.459 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -58.47 -41.37 85.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.239 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.13 -38.53 86.71 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.98 -45.5 95.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.911 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.57 -44.47 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.59 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.469 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -65.53 -39.3 91.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.603 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.81 -45.53 96.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.03 -39.45 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.0 110.647 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 m-20 -60.86 -45.2 95.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 59.0 ttm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.344 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.39 -46.5 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.19 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -64.06 -42.02 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.597 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -43.95 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 83.6 mt -63.03 -43.79 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.97 99.98 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.81 -43.19 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.59 -38.69 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.353 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.478 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.0 t60 -58.52 -41.42 85.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.233 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.442 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 6.4 mt -61.1 -38.62 86.96 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.611 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.02 -45.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -71.54 -44.38 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.546 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.459 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.8 t90 -65.67 -39.26 91.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.599 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.95 -45.36 97.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.356 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.28 -39.54 92.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.629 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 88.1 m-20 -60.54 -45.06 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.541 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 59.1 ttm-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.649 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.708 0.29 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.84 -45.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.8 89.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.848 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.68 -41.97 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.405 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -43.06 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.4 mm -61.85 -43.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.82 -42.64 99.77 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.38 -43.46 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.28 -38.14 88.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -58.68 -41.74 86.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.02 -40.23 92.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.05 -44.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.638 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.64 -43.85 58.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.197 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 68.1 t90 -66.34 -47.39 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.357 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.06 -39.8 86.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.27 -41.03 98.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.74 -43.69 94.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.467 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.837 0.351 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.82 -45.8 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.81 94.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.29 -45.67 90.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.64 -42.04 98.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.1 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.4 mm -61.95 -43.69 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.73 99.8 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.27 -43.46 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.365 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.18 -38.31 88.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.7 t60 -58.51 -41.8 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.93 -40.28 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.06 -44.56 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.63 -43.86 58.48 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.52 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 67.6 t90 -66.24 -47.35 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.431 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.08 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.125 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.17 -41.09 97.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.95 -43.48 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.393 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.52 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.77 -45.95 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.67 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.775 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.05 98.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.383 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.12 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.492 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -61.8 -43.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.533 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.74 99.8 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.34 -43.47 97.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.17 -38.25 88.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.19 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -58.68 -41.63 86.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.022 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.01 -40.35 93.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -44.55 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.544 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -43.81 58.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.227 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 67.7 t90 -66.35 -47.39 73.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.41 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 tt -64.91 -39.84 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.116 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.744 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.74 -43.66 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.518 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.927 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.739 0.304 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.87 -45.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.94 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.77 90.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.01 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -43.02 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -61.92 -43.72 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.515 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.66 -42.85 99.82 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.13 -43.5 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.19 -38.23 88.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.8 t60 -58.58 -41.74 86.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -61.1 -40.19 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.93 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.557 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.59 -43.83 58.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.528 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 67.7 t90 -66.4 -47.28 73.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.373 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.23 -39.46 85.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.121 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.47 -41.06 98.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -43.58 94.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.35 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.884 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.809 0.338 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.59 -48.3 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.531 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.76 84.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.514 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.45 -43.12 95.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.439 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.93 -43.39 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 96.8 mt -62.76 -42.69 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.391 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -47.84 64.79 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -65.37 -42.49 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.39 -42.29 98.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.57 -44.32 97.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.709 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.515 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 0.9 OUTLIER -59.87 -40.07 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.644 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.21 -43.78 98.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.35 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.53 -41.93 65.3 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -68.82 -47.66 65.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.361 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 15.3 tt -65.05 -40.67 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 54.2 tp -62.95 -40.44 97.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.447 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.67 -33.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.608 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.313 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.786 0.327 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.56 -48.22 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.19 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.49 76.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.995 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.22 95.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.16 -43.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.405 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.9 mt -62.57 -42.74 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.27 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.46 -42.52 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.43 -42.1 98.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.46 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.3 t60 -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.759 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -59.85 -40.14 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.3 -43.69 98.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.388 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.4 -42.04 65.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.9 t90 -68.99 -47.61 65.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.284 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 15.2 tt -64.95 -40.9 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.937 0.399 . . . . 0.0 110.322 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 53.9 tp -62.78 -40.62 97.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.44 -33.88 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.472 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.789 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -48.19 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.87 84.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.94 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.28 -43.21 95.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.68 -43.47 98.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 96.8 mt -62.71 -42.68 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.9 -47.7 64.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.59 -42.49 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.55 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.48 -42.07 98.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -61.53 -44.42 97.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.839 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 0.9 OUTLIER -59.69 -40.15 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -178.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.21 -43.75 98.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.417 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.65 -41.95 64.91 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.46 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.85 -47.62 65.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 15.3 tt -65.01 -40.84 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 53.7 tp -62.84 -40.49 97.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.54 -33.93 74.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.472 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.286 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.805 0.336 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.75 -48.18 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.22 86.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.69 76.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.001 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.11 95.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mm -64.11 -43.18 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.589 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.8 mt -62.76 -42.74 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.25 61.55 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -65.25 -42.42 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.647 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.57 -42.16 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.682 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.448 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.3 t60 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 0.9 OUTLIER -59.79 -40.06 87.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.23 -43.84 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.291 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.35 -41.92 65.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.2 t90 -68.93 -47.73 65.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.276 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 15.2 tt -64.96 -40.8 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.267 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 54.0 tp -62.91 -40.48 97.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.405 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.58 -33.9 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.436 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.805 0.336 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.37 -44.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.14 95.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.53 -36.64 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.58 -38.63 91.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.95 -41.74 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.243 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.42 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.548 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.21 -55.95 26.79 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.283 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 35' ' ' ILE . 1.8 mp -69.77 -43.79 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.576 0.227 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.2 -45.55 94.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.785 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.2 t60 -60.55 -40.58 92.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 12.2 mt -60.73 -39.58 89.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.41 -44.52 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.969 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.2 mm? -71.63 -43.06 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.22 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -69.3 -45.89 68.5 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 17.1 tt -63.59 -43.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.253 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 82.2 mt -65.4 -42.14 92.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 44' ' ' ASP . 67.2 t0 -53.75 -34.92 60.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.704 0.288 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.53 -44.83 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.35 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.71 73.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.47 -38.67 92.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.1 -41.91 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.272 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.31 -43.23 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.582 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.39 -55.87 27.37 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.258 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.97 -43.67 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 120.666 0.269 . . . . 0.0 110.978 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.22 -45.69 93.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.706 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.75 91.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.043 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.415 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.3 mt -60.7 -39.59 89.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.237 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.17 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -71.59 -43.12 66.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.199 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -69.4 -45.73 68.56 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 17.0 tt -63.64 -43.55 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.318 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.444 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 82.4 mt -65.52 -42.09 92.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 67.0 t0 -53.95 -34.79 60.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.581 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.731 0.3 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.3 -44.87 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.18 95.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.64 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.449 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -38.76 92.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.14 -41.69 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.327 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.4 -43.35 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.29 -55.91 27.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.229 -0.986 . . . . 0.0 111.324 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' C' ' 35' ' ' ILE . 1.8 mp -69.96 -43.78 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.98 -45.78 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.798 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.1 t60 -60.36 -40.7 91.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.092 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.406 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 12.3 mt -60.75 -39.45 88.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.65 99.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.093 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 4.2 mm? -71.58 -43.12 66.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.168 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -69.35 -45.78 68.59 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 17.0 tt -63.65 -43.51 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.262 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 82.3 mt -65.47 -42.24 92.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.774 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 67.1 t0 -53.77 -34.96 60.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.314 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.766 0.317 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.38 -45.03 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.13 96.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.761 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.48 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.54 -38.73 92.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.97 -42.04 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.18 -43.37 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.542 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.46 -55.77 27.94 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.266 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' D' ' 35' ' ' ILE . 1.8 mp -69.98 -43.74 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.03 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.805 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.426 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.2 t60 -60.57 -40.56 92.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.09 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.404 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 12.2 mt -60.72 -39.69 89.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.046 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.64 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.035 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' D' ' 40' ' ' LEU . 4.2 mm? -71.45 -43.11 67.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.256 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -69.45 -45.76 68.33 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 17.0 tt -63.58 -43.79 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.214 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 82.3 mt -65.27 -42.21 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.865 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.1 t0 -53.83 -34.93 60.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.249 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.71 -45.62 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.87 96.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.12 -42.87 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.62 -44.67 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -64.57 -43.93 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.4 90.07 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.33 -42.91 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.004 0.431 . . . . 0.0 110.278 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -39.89 84.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.1 t60 -58.53 -40.6 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.4 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.05 -39.81 87.26 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.82 -44.03 93.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -73.48 -44.91 56.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.056 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.4 t90 -64.65 -39.38 93.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -46.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.613 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.45 -37.91 88.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.892 0.377 . . . . 0.0 110.62 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 95.2 m-20 -58.5 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.509 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.506 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 52.4 ttm-85 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.067 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.79 0.329 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.58 -44.92 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.17 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.628 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.98 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.26 -42.85 87.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.79 -44.32 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.656 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 94.0 mt -64.8 -43.91 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.3 -47.53 89.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.23 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.09 -40.21 84.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.443 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.2 t60 -58.36 -40.55 82.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.286 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.05 -43.98 93.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.4 -45.17 56.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.04 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.458 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.1 t90 -64.32 -39.48 94.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.68 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.52 -46.63 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.16 -37.6 87.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.412 . . . . 0.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.53 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 94.9 m-20 -58.85 -43.19 90.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 52.3 ttm-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.39 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.72 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.68 -42.71 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.77 -44.88 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 94.2 mt -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.1 -47.61 88.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.18 -42.79 97.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.995 0.426 . . . . 0.0 110.177 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.348 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.2 t60 -58.75 -40.75 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.312 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.442 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.22 -39.4 86.49 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.14 -43.99 94.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 4.0 mm? -73.43 -44.76 57.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.104 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.3 t90 -64.78 -39.15 93.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.795 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.411 HD11 HG22 ' C' ' 42' ' ' ILE . 51.3 mt -64.74 -46.78 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.11 -38.04 89.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.5 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 92.4 m-20 -58.47 -43.62 89.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.449 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.53 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 52.5 ttm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.047 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.34 -45.08 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.18 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.74 99.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.49 -43.01 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.47 -44.86 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.628 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 93.3 mt -64.28 -44.14 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.81 -47.88 87.45 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.18 -43.0 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.386 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.82 -39.87 82.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.482 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.1 t60 -58.6 -40.76 84.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.305 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.4 mt -60.01 -39.54 86.16 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.018 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.96 -44.08 93.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.0 mm? -73.36 -44.42 58.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.181 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.4 t90 -65.1 -39.36 93.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.416 HD11 HG22 ' D' ' 42' ' ' ILE . 50.7 mt -64.64 -46.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.15 -37.79 88.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.996 0.427 . . . . 0.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.506 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 93.9 m-20 -58.64 -43.42 89.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.527 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 53.1 ttm-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.02 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.756 0.312 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.09 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.14 78.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.13 -41.59 97.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.87 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 86.6 mt -63.59 -43.47 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.38 98.14 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -42.92 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.81 -38.25 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.33 -41.46 84.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.962 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.63 -40.14 90.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.175 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.42 -44.42 99.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.464 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.36 -43.76 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.6 t90 -67.93 -46.7 70.79 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.667 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.65 -38.77 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.125 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.79 -42.14 98.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.655 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.3 m-20 -60.7 -42.69 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.28 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.677 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.74 0.305 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.87 -45.28 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.08 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.614 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.03 -41.64 97.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.86 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 87.1 mt -63.46 -43.66 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.94 -42.93 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 0.0 110.111 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.82 -38.21 84.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.837 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.477 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -58.31 -41.66 84.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.961 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.2 mt -60.47 -40.26 90.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.16 -44.46 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.612 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.31 -43.99 63.37 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.255 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.3 t90 -67.7 -46.81 71.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.51 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.7 -38.79 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.048 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.8 -42.19 98.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.58 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.448 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.4 m-20 -60.73 -42.7 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.187 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.663 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.91 -45.29 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.95 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.656 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.2 -41.66 96.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 87.0 mt -63.52 -43.64 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.28 -44.42 98.11 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.88 -43.01 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.116 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.74 -38.21 84.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -58.23 -41.64 84.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.982 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.477 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.66 -40.23 91.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.102 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.53 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.26 -43.79 63.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.383 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.5 t90 -67.83 -46.8 70.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.656 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.65 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.116 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.79 -42.24 98.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.3 m-20 -60.75 -42.73 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.81 -45.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.454 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.0 93.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.2 -41.54 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.58 -43.87 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 86.7 mt -63.49 -43.58 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -44.34 98.18 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.0 -42.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 110.07 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.77 -38.22 84.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.72 84.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.1 mt -60.57 -40.22 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -44.49 99.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.515 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.3 -44.03 63.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.349 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.65 -46.85 71.23 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.54 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.7 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.78 -42.14 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.3 m-20 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.18 -46.68 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.376 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.9 88.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.01 -40.73 64.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.485 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.18 -39.92 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.06 -43.18 95.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 51.4 mm -62.51 -45.8 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.28 54.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.13 -42.42 95.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.183 0.516 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.86 -41.51 91.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.445 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.459 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.352 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.452 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.9 mt -60.32 -39.96 88.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.545 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.48 -45.12 94.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.345 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -72.39 -44.86 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.29 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 81.0 t90 -64.97 -38.3 90.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.91 -44.25 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.49 -43.69 96.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.46 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.79 -39.97 93.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.433 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.121 0.486 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.47 -46.65 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.328 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.57 88.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.449 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -40.51 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.455 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.4 -39.9 95.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.81 -43.48 96.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 51.4 mm -62.43 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.919 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.36 54.57 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.03 -42.42 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.386 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.86 -41.42 91.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.382 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -58.59 -39.6 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.459 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -60.32 -40.07 89.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.53 -45.19 94.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -72.43 -44.88 61.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.375 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.5 t90 -64.75 -38.42 90.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.92 -44.33 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.49 -43.46 96.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.412 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.04 -40.05 94.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.502 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.456 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.22 -46.74 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.77 87.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.71 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.46 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.32 -39.97 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.36 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.76 -43.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 51.3 mm -62.36 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -51.29 55.02 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.18 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.02 -42.4 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.226 0.536 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.08 -41.3 92.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.66 -39.53 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -60.25 -40.0 88.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.624 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.62 -45.09 94.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.318 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.4 -45.04 61.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 81.1 t90 -64.8 -38.39 90.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.97 -44.25 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.885 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.53 -43.43 97.16 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.46 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.9 -40.2 94.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.508 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.19 -46.58 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.305 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.78 88.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.27 -40.08 64.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.75 -39.67 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.18 -43.4 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 51.6 mm -62.41 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.917 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.65 -51.33 54.87 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.14 -42.34 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.04 -41.21 91.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.452 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.78 -39.4 80.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.337 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.47 -39.9 89.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.567 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.67 -45.21 94.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.242 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.28 -45.07 61.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.8 t90 -64.64 -38.51 91.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.87 -44.35 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.5 96.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.518 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.94 -40.16 94.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.445 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.93 -41.59 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.16 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.19 98.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.628 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.99 -42.71 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG22 HD13 ' A' ' 32' ' ' ILE . 97.3 mt -65.35 -44.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 91.2 mt -63.57 -43.92 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -45.25 96.98 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.46 -42.9 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.138 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.1 -38.55 83.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.002 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.32 -41.33 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.7 -39.77 89.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.283 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.57 -43.28 60.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.243 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.8 t90 -67.69 -47.17 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.8 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.061 0.458 . . . . 0.0 110.215 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.84 -43.2 99.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.76 -39.49 94.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.924 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 m -67.94 -41.79 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.42 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.643 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.77 -42.81 97.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.424 HD13 HG22 ' B' ' 32' ' ' ILE . 97.6 mt -65.3 -44.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -63.61 -43.85 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.3 96.88 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -42.84 97.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -38.76 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.98 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.487 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.3 t60 -58.33 -41.37 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.3 mt -60.6 -39.87 89.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.71 -44.55 98.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.386 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 50.7 mt -73.51 -43.24 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.303 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.9 t90 -67.68 -47.24 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.352 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -63.69 -36.76 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.214 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.82 -43.21 99.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.681 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.4 94.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 -179.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.1 m -68.12 -41.52 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.669 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.99 93.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.38 98.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.91 -42.9 97.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.656 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.17 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -63.51 -43.96 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.406 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.33 96.8 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.54 -42.88 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.411 . . . . 0.0 110.035 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -38.59 83.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.036 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.466 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.41 -41.26 84.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.238 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.487 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.6 -39.98 90.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.61 -44.56 98.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.374 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.58 -43.34 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.189 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.8 t90 -67.52 -47.26 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 17.2 tt -63.84 -36.73 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 110.168 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.8 -43.14 99.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.742 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.5 94.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.966 0.412 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -68.01 -41.73 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.508 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.89 -42.83 97.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.402 HD13 HG22 ' D' ' 32' ' ' ILE . 97.4 mt -65.18 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.4 mt -63.67 -43.78 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.29 96.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.48 -42.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.905 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.3 t60 -58.23 -41.37 83.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.5 -39.94 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.56 -44.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.354 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.68 -43.2 60.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.297 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -67.45 -47.31 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -63.75 -36.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.09 0.472 . . . . 0.0 110.265 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.74 -43.18 99.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.741 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.87 -39.42 94.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 -179.782 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.973 0.416 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.673 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.8 98.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.392 . . . . 0.0 110.652 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -42.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.36 -43.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.89 -45.16 94.85 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.96 -43.05 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.48 -38.17 86.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.047 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.476 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.38 -41.67 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.917 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.6 mt -61.64 -39.49 91.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.114 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.87 -44.61 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.553 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -74.15 -46.23 43.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.381 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 66.0 t90 -63.68 -46.7 84.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.511 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.31 -37.81 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.134 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.15 -42.73 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 64.7 t0 -60.73 -43.97 97.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.29 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 24.7 mmt85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.633 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.98 -43.71 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.19 84.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.577 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.91 98.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -64.39 -42.57 96.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.666 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.409 HD12 HG21 ' B' ' 32' ' ' ILE . 97.1 mt -64.6 -42.82 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.443 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.41 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.576 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.02 -45.18 94.6 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.0 -42.91 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.489 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -58.53 -41.67 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.845 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.476 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.54 -39.44 91.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.44 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.56 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.05 -46.52 42.72 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.9 t90 -63.44 -46.7 85.09 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.673 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.25 -37.83 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.085 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.24 -42.78 99.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.579 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 64.7 t0 -60.7 -43.92 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 110.269 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 24.8 mmt85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.584 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.85 -43.82 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.18 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -64.53 -42.56 95.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.412 HD12 HG21 ' C' ' 32' ' ' ILE . 97.1 mt -64.84 -42.7 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.369 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.9 mm -62.33 -43.9 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.614 -179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -45.28 94.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.94 -42.91 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.979 0.419 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.65 -37.99 86.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.484 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -41.63 86.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.941 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.489 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -61.52 -39.52 91.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.1 -44.45 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.496 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 tp -74.19 -46.42 42.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.312 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 66.3 t90 -63.58 -46.62 85.02 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.18 -37.85 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.089 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.23 -42.64 99.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.441 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 64.8 t0 -60.78 -43.84 97.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 0.0 110.274 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 24.7 mmt85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.362 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.96 -43.69 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.446 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.14 84.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.76 97.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.34 -42.64 96.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.71 -42.85 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.9 mm -62.36 -43.84 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.583 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.06 -45.07 94.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.13 -42.84 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.47 -38.21 86.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.025 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.486 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.6 -41.64 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.484 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -61.55 -39.44 91.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.03 -44.42 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.48 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -74.27 -46.42 41.47 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 66.3 t90 -63.45 -46.72 84.96 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.554 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.22 -37.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.095 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.463 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.0 t0 -60.8 -43.92 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.441 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 24.8 mmt85 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.618 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.07 0.462 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.44 -43.95 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.51 74.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.6 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.92 -44.46 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.532 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.529 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.3 mt -61.9 -42.67 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.13 -44.41 83.7 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.72 -43.14 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.59 -42.61 99.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.522 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.5 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.2 t60 -61.13 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.4 mt -60.19 -39.16 85.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.74 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.72 -45.23 99.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.247 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.494 ' C ' HH22 ' B' ' 45' ' ' ARG . 85.3 mt -67.55 -43.46 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.477 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.9 t90 -68.59 -37.76 80.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.323 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.96 -46.1 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.32 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.385 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -50.18 -45.32 53.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.492 HH22 ' C ' ' D' ' 40' ' ' LEU . 41.0 ttm180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.987 0.423 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.37 -44.13 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.65 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.48 92.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.786 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.69 -42.72 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.521 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.9 mt -62.07 -42.69 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.56 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.36 83.37 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 mm -66.79 -42.98 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.63 -42.68 99.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.53 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.496 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.1 t60 -61.05 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.4 mt -60.11 -39.19 85.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.795 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.67 -45.22 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.26 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.5 -43.77 80.09 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.5 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.8 t90 -68.43 -37.66 80.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.04 -45.99 94.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -38.38 90.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.293 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -50.15 -45.32 53.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.883 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.494 HH22 ' C ' ' A' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.9 t . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 121.064 0.459 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.4 -44.01 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -49.53 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.479 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.68 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.84 -44.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.508 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 89.8 mt -62.03 -42.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.33 -44.3 84.66 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.76 -43.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.762 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.75 -42.69 99.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.491 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -60.89 -43.23 98.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.521 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.4 mt -60.29 -39.28 86.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -45.12 99.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.519 ' C ' HH22 ' D' ' 45' ' ' ARG . 85.9 mt -67.46 -43.64 80.56 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.335 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.496 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.72 80.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.89 -46.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.25 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -50.16 -45.2 53.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.906 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.179 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.018 0.437 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.43 -44.06 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.514 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.57 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.6 95.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.62 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.413 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.0 mt -61.92 -42.65 95.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.41 84.15 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.68 -43.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.704 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.73 -42.77 99.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.43 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.489 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.2 t60 -60.95 -43.2 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.785 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.4 mt -60.24 -39.0 85.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.86 -45.25 99.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.274 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.492 ' C ' HH22 ' A' ' 45' ' ' ARG . 85.4 mt -67.44 -43.68 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.491 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.67 80.12 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.325 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.95 -46.18 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.362 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -50.18 -45.2 53.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.87 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.519 HH22 ' C ' ' C' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.701 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.674 0.274 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.0 m -68.43 -42.06 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.78 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.74 98.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.77 -43.44 93.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 32' ' ' ILE . 97.4 mt -65.22 -44.12 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -64.52 -43.71 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.31 95.65 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.93 -42.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.132 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.82 -38.05 84.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.699 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -58.53 -42.1 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.041 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.5 mt -61.17 -39.83 91.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.403 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -44.75 59.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.266 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.0 t90 -66.14 -45.78 79.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 17.0 tt -64.32 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.048 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 42.5 mt -64.64 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.438 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' B' ' 45' ' ' ARG . 91.6 m-20 -61.32 -36.72 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' D' ' 44' ' ' ASP . 17.2 mmm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.404 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.767 0.318 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 m -68.29 -42.2 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.922 0.392 . . . . 0.0 110.581 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.72 92.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.83 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -64.77 -43.5 93.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.722 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 32' ' ' ILE . 97.5 mt -65.1 -44.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.453 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.48 -43.74 96.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -45.1 95.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -64.1 -42.64 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.426 . . . . 0.0 110.037 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.75 -37.95 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.845 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.479 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -58.6 -42.24 87.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.944 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.5 mt -61.13 -39.82 91.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.4 -44.31 99.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.456 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -44.93 59.11 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.107 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -65.99 -45.74 80.5 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 17.2 tt -64.43 -41.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.919 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 42.6 mt -64.67 -38.44 91.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.41 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.443 ' CG ' ' NH2' ' C' ' 45' ' ' ARG . 91.9 m-20 -61.36 -36.74 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.529 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 44' ' ' ASP . 17.3 mmm180 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.757 0.313 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.35 -42.15 84.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.961 0.41 . . . . 0.0 110.529 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.95 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.75 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -64.79 -43.53 92.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 32' ' ' ILE . 97.4 mt -64.95 -44.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.513 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.3 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.34 95.71 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.92 -42.72 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.131 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.93 -37.91 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.803 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -42.15 87.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.96 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.479 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.16 -39.79 91.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.109 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.31 -44.36 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.463 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -44.99 59.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.182 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 69.8 t90 -65.97 -45.75 80.57 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 17.0 tt -64.33 -41.21 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.015 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 42.6 mt -64.66 -38.43 90.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' D' ' 45' ' ' ARG . 91.8 m-20 -61.22 -36.81 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NH2' ' CG ' ' B' ' 44' ' ' ASP . 17.1 mmm180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.534 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -68.37 -42.03 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.89 92.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.494 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.74 98.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.69 -43.5 93.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.4 HG22 HD11 ' D' ' 32' ' ' ILE . 97.5 mt -65.08 -44.19 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.483 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.1 mt -64.64 -43.55 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.34 95.59 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.95 -42.78 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.87 -37.88 83.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.695 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.463 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -58.69 -42.12 87.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.949 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -61.14 -39.93 91.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.415 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -44.89 59.85 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.1 t90 -66.08 -45.81 79.94 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 17.1 tt -64.3 -41.19 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.931 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.6 mt -64.59 -38.55 91.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.447 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 45' ' ' ARG . 92.5 m-20 -61.23 -36.63 80.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.667 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' C' ' 44' ' ' ASP . 17.3 mmm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.782 0.325 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.25 -45.06 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.6 97.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.89 -42.2 97.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.09 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.82 -44.02 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -47.86 82.64 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.6 -42.68 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.211 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.47 -40.27 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.112 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.476 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.4 t60 -57.78 -40.99 81.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.082 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.38 -39.55 87.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.978 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.61 -44.7 99.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.338 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.3 -44.32 59.31 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.278 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.39 -47.14 74.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.363 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.0 tt -64.56 -33.84 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.47 -43.95 97.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.267 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -64.27 -40.9 96.91 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.708 0.29 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.44 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.747 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.8 97.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.73 -42.23 97.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.407 HD12 HG23 ' B' ' 32' ' ' ILE . 97.6 mt -64.77 -43.05 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.87 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.58 84.47 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.73 -42.66 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.888 0.375 . . . . 0.0 110.12 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.54 -40.16 90.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.132 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.05 81.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.121 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.476 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.39 -39.53 87.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.56 -44.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.281 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.26 -44.33 59.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.269 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.5 t90 -66.4 -47.14 74.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.467 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 tt -64.51 -33.75 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.859 0.361 . . . . 0.0 110.256 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.32 -44.13 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -64.09 -40.81 97.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.678 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.512 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.744 0.306 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.12 -45.32 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.9 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.88 97.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.78 -42.16 97.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.402 HD12 HG23 ' C' ' 32' ' ' ILE . 97.5 mt -64.85 -43.12 96.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.8 mm -62.68 -44.06 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.56 84.91 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.65 -42.71 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.206 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.6 -40.01 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.108 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.473 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -57.83 -41.08 81.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.165 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.4 -39.6 87.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.49 -44.71 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.316 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.192 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.35 -47.16 74.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.463 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 tt -64.44 -33.82 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.853 0.359 . . . . 0.0 110.214 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.26 -44.12 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.698 0.285 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.3 -45.28 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.82 95.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.66 97.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.758 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.76 -42.09 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.647 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.83 -43.12 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.8 mm -62.92 -43.91 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.68 83.49 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.57 -42.78 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.957 0.408 . . . . 0.0 110.189 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.52 -39.95 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.468 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.1 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.096 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.473 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.62 -39.36 87.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.6 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.309 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.28 -44.43 59.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.318 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -66.36 -47.04 74.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.496 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 tt -64.55 -33.85 65.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.188 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.27 -44.09 97.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.26 -40.88 96.91 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.644 0.259 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.55 -42.23 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.256 0.551 . . . . 0.0 110.438 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.33 97.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.671 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.32 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.624 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.61 -42.86 95.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.26 -44.43 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.375 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 89.6 mt -63.96 -44.12 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.28 94.16 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.58 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.44 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.2 t60 -57.72 -41.95 82.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.5 mm -60.62 -45.88 96.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.697 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.97 -46.34 44.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 68.0 t90 -62.13 -48.09 81.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.278 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 15.6 tt -65.79 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.227 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 50.5 tp -63.07 -42.31 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.776 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.72 -44.72 90.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.549 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.694 179.768 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.62 -42.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.123 0.487 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.07 96.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.36 99.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.533 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.6 -42.93 95.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -44.4 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.7 mt -64.13 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.36 -46.42 93.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.51 -43.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.176 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.27 -38.05 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.497 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.1 t60 -57.71 -41.78 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.9 mt -60.7 -40.07 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -60.66 -45.91 96.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.727 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.93 -46.19 45.83 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 68.0 t90 -62.14 -48.22 81.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.248 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.74 -40.43 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.243 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.01 -42.33 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.76 -44.65 90.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.506 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 179.735 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.681 0.277 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.72 -42.21 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.141 0.496 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.33 97.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.715 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.38 99.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.52 -42.9 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -44.38 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -64.09 -44.01 97.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.31 -46.56 93.65 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.52 -43.03 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.27 -38.1 82.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.04 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.1 t60 -57.89 -41.68 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.497 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.67 -40.22 91.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mm -60.78 -45.8 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.687 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.83 -46.18 46.63 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.181 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 67.7 t90 -62.26 -48.18 81.06 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.218 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 15.6 tt -65.65 -40.64 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.137 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 50.2 tp -62.98 -42.43 99.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.58 -44.66 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.615 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.793 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.66 -42.1 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.128 0.49 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.683 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -64.63 -42.85 95.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.29 -44.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.7 mt -64.06 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.38 -46.41 93.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.42 -43.23 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.32 -38.05 82.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.2 t60 -57.93 -41.65 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.63 -40.16 90.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.055 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.7 mm -60.67 -45.83 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.713 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.97 -46.29 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 67.7 t90 -62.17 -48.23 80.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 15.6 tt -65.67 -40.46 87.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.175 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 50.5 tp -63.0 -42.44 99.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.7 -44.68 90.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.496 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.628 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.767 0.317 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.81 -43.46 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 0.0 110.138 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -46.26 87.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.673 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.23 96.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.45 -43.68 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.32 -44.19 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.446 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 95.2 mt -64.81 -43.7 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -45.29 93.24 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.78 -42.73 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.021 0.439 . . . . 0.0 110.053 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.76 83.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.0 t60 -58.57 -41.59 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.87 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.452 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -61.11 -39.39 89.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.93 -49.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.33 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.15 -44.16 72.86 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.2 t90 -65.88 -36.65 84.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 111.022 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.61 -42.82 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.15 -40.03 92.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 93.6 m-20 -64.19 -30.85 71.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.199 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.79 -43.45 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.241 0.543 . . . . 0.0 110.2 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.71 -46.21 87.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -40.14 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.56 -43.7 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.402 HD11 HG22 ' B' ' 32' ' ' ILE . 97.7 mt -64.28 -44.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.338 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.1 mt -64.81 -43.81 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.3 93.42 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.65 -42.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.074 0.464 . . . . 0.0 110.031 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.96 -37.69 83.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.999 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -58.5 -41.7 85.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.812 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.434 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.06 -39.45 89.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.88 -49.8 79.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.314 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.08 -44.33 72.75 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.4 t90 -65.77 -36.7 84.3 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.668 0.27 . . . . 0.0 110.931 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.76 -42.69 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.18 -40.04 92.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 93.2 m-20 -64.29 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.26 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.784 0.326 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.57 -43.58 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.33 87.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.585 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.21 96.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.52 -43.62 93.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.3 -44.24 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.397 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 95.6 mt -64.88 -43.76 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.45 -45.41 93.3 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.72 -42.77 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.063 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.74 83.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.452 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.0 t60 -58.4 -41.56 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.906 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -61.29 -39.39 90.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.87 -49.85 79.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.221 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.1 -44.19 72.96 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.1 t90 -65.93 -36.64 83.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.695 0.283 . . . . 0.0 110.9 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.8 mt -61.73 -42.7 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.18 -40.15 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.286 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 94.5 m-20 -64.16 -30.89 71.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.73 -43.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.394 0.616 . . . . 0.0 110.28 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.21 87.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.596 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.48 -43.76 93.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.18 -44.31 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.1 mt -64.8 -43.76 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.34 93.41 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.9 -42.7 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.91 -37.78 83.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.978 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.452 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.946 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.445 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.9 mt -61.17 -39.39 89.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.83 -49.89 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.327 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.18 -44.05 72.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.2 t90 -65.92 -36.66 83.99 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 110.955 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.7 -42.52 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.36 -40.13 93.14 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.222 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 93.4 m-20 -64.08 -31.04 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.31 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 74.0 t . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.745 0.307 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 89.9 t -62.78 -45.63 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.25 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.15 82.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.577 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.94 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.251 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 27' ' ' VAL . 3.8 p-10 -65.69 -39.95 91.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.741 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.484 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.94 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -45.25 89.19 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.2 -42.99 97.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.96 -40.94 95.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -58.47 -40.87 83.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.14 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.62 -39.18 87.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.25 -44.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.942 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.1 mm? -73.53 -44.06 58.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.49 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.2 t90 -67.41 -45.34 76.43 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.87 -38.83 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.396 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -43.68 98.31 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.106 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.46 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 74.2 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 86.8 t -62.69 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.6 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.02 65.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 27' ' ' VAL . 3.8 p-10 -65.64 -40.04 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.711 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.51 -42.92 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.492 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.03 -44.12 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.33 88.3 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.17 -42.91 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.08 -40.94 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -58.43 -40.92 83.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -60.57 -39.3 87.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.11 -44.22 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.937 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -73.46 -44.05 58.92 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.502 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.0 t90 -67.35 -45.37 76.56 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -61.88 -38.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.325 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -43.71 98.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.134 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.53 -41.22 97.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.676 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . 0.449 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 72.5 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.725 0.298 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 89.5 t -62.96 -45.58 98.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.18 82.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.618 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.88 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.269 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' C' ' 27' ' ' VAL . 3.8 p-10 -65.58 -40.18 92.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.5 -42.79 97.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.93 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.49 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.15 -45.12 89.14 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.12 -42.99 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.423 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 tp -60.93 -40.96 95.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.49 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.21 -41.29 83.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.105 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.9 mt -60.42 -39.15 86.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -44.25 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.871 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 4.1 mm? -73.58 -43.93 58.53 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.494 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.46 -45.32 76.3 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.85 -38.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.411 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -43.74 98.19 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.035 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.53 -41.25 97.06 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.738 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 70.9 t . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 89.2 t -62.67 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.246 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.1 82.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.72 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.344 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' D' ' 27' ' ' VAL . 3.8 p-10 -65.75 -40.14 91.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.41 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.08 -45.16 89.13 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.18 -42.86 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.07 -41.02 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.446 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -58.4 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.49 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.68 -39.29 87.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.861 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.0 mm? -73.61 -43.97 58.27 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.48 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.1 t90 -67.45 -45.21 76.65 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.02 -38.83 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.442 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -43.68 98.33 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.49 -41.2 96.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.688 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.25 -44.83 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.44 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.03 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 93.2 m-20 -63.66 -42.66 98.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 32' ' ' ILE . 97.3 mt -65.18 -43.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.7 mt -62.17 -43.5 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.891 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.25 99.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.72 -37.33 83.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.974 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -42.57 87.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.922 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -60.61 -39.82 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.34 -49.42 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.849 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 10.2 mp -70.8 -43.38 68.78 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.479 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.23 -48.22 71.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.47 -39.74 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -41.37 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.647 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 65.7 t0 -58.34 -47.93 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 90.6 mtt180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.12 -44.95 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.393 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.36 84.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.12 93.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.72 -42.52 97.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.411 HG22 HD11 ' B' ' 32' ' ' ILE . 97.3 mt -65.15 -43.19 95.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.5 mt -62.12 -43.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.45 99.78 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -43.23 97.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.117 0.484 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.7 -37.4 84.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.018 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.7 t60 -58.32 -42.21 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.75 -40.08 91.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.17 -49.61 82.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.699 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 10.1 mp -70.52 -43.59 69.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.569 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.2 t90 -66.21 -48.17 71.48 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.636 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 14.1 tt -65.47 -39.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.42 . . . . 0.0 109.981 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -41.3 97.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.46 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 65.6 t0 -58.18 -48.25 80.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 90.8 mtt180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.34 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.324 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.6 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.476 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.95 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.406 HD11 HG22 ' C' ' 32' ' ' ILE . 97.4 mt -65.1 -43.12 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.09 -43.56 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.24 99.72 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.88 -43.18 97.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.28 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.69 -37.28 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.067 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.498 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.43 -42.41 87.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.895 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.5 mt -60.73 -39.87 90.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.18 -49.6 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.675 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' C' ' 40' ' ' LEU . 10.2 mp -70.85 -43.43 68.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.46 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.552 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 14.1 tt -65.37 -39.59 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 110.073 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 6.0 tt -62.17 -41.17 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 65.9 t0 -58.38 -48.1 81.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.134 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.46 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 90.8 mtt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.295 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.3 -44.93 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.55 84.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.431 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -61.49 -39.83 92.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.78 -42.64 97.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.729 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.18 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.416 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.2 mt -62.16 -43.44 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -42.37 99.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.82 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 110.196 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -37.51 84.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.081 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.417 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -58.52 -42.09 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.89 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.498 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.14 -49.56 82.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.755 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' D' ' 40' ' ' LEU . 10.2 mp -70.73 -43.38 69.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.513 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.3 t90 -66.22 -48.21 71.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 14.1 tt -65.51 -39.62 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.058 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -41.32 98.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.539 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.6 t0 -58.15 -48.26 80.82 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.077 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 90.7 mtt180 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.77 -8.45 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.33 -42.04 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.38 -44.41 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -154.78 129.05 8.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.3 150.04 50.94 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.307 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.37 -24.29 50.22 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.307 2.004 . . . . 0.0 112.23 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.4 mp -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.469 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.08 -46.41 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.561 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.44 -45.18 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.515 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.02 95.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.43 82.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.854 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -63.97 -41.91 97.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.484 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.34 -42.92 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.07 -43.74 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.24 -42.5 99.31 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.26 -43.41 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.511 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -38.97 90.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.038 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.472 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.6 t60 -58.72 -41.18 85.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -61.56 -38.06 86.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.96 -45.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.784 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -71.19 -44.88 64.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.805 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.1 t90 -66.33 -38.7 88.26 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.6 0.238 . . . . 0.0 110.874 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.6 -42.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.22 -42.51 91.15 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.23 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 45.3 t0 -62.35 -38.98 91.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.178 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 20.5 mmm180 -64.74 -28.11 69.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.56 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.22 21.68 8.64 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.14 162.29 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.528 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.454 -179.758 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.8 p30 -75.68 -8.5 56.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.3 -42.02 99.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -154.6 129.11 9.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.084 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.19 149.97 51.1 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.418 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.43 -24.14 49.99 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.336 2.024 . . . . 0.0 112.183 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' B' ' 26' ' ' LEU . 10.4 mp -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.501 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.22 -46.33 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.551 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.49 -45.14 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.3 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.5 81.61 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.833 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.98 -41.86 97.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.394 . . . . 0.0 110.563 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.32 -42.94 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.26 -43.61 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.473 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.47 99.13 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.21 -43.38 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.17 -38.86 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.461 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.5 t60 -58.74 -41.18 85.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.95 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.427 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.0 mt -61.63 -38.06 86.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.98 -45.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.92 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.25 -44.82 64.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.805 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.1 t90 -66.29 -38.77 88.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 110.873 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.59 -42.27 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.02 -42.5 90.31 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.358 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.445 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 45.3 t0 -62.42 -39.0 91.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 0.0 110.161 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 20.6 mmm180 -64.71 -28.07 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -42.21 99.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.34 21.72 8.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -45.19 162.38 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.441 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.69 -8.36 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.43 -44.44 97.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.73 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t -154.66 129.11 9.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.042 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.22 149.96 50.99 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.329 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.46 -24.24 49.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.419 2.08 . . . . 0.0 112.119 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.474 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.22 -46.59 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.31 -45.11 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.13 95.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.69 81.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.795 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.589 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.3 -42.97 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -62.14 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.481 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.2 -42.41 99.38 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.39 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.21 -38.79 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.039 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.477 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.5 t60 -58.69 -41.22 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.072 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.416 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.61 -38.11 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.81 -45.84 94.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.06 -44.87 64.88 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.461 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.0 t90 -66.42 -38.62 87.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.549 0.214 . . . . 0.0 110.844 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.53 -42.38 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.96 -42.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.299 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.34 -38.93 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.032 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 20.6 mmm180 -64.7 -28.21 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.001 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.74 -42.31 99.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.572 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.2 21.69 8.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.2 162.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.477 -179.805 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.67 -8.32 56.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.52 -42.01 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.43 -44.34 97.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -154.78 129.15 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.066 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -86.3 150.07 51.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.6 -24.05 48.86 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.354 2.036 . . . . 0.0 112.14 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.5 mp -63.23 -42.24 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.391 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.2 -46.4 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.38 -45.29 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.04 95.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.59 81.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.9 -41.91 97.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.349 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -42.97 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -62.06 -43.79 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.46 99.31 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.4 -43.33 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -39.0 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.097 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.472 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.6 t60 -58.66 -41.22 85.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.995 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.44 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.0 mt -61.44 -38.15 86.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -45.66 94.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.822 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.2 -44.83 64.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.477 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.0 t90 -66.4 -38.73 88.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.603 0.24 . . . . 0.0 110.872 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -42.21 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.27 -42.41 91.14 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.236 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.479 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 45.7 t0 -62.45 -39.0 91.94 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.11 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -64.64 -28.05 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.21 21.82 8.45 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.29 162.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.222 -0.39 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.432 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.68 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.367 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.71 -19.18 64.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.0 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 t -103.26 98.02 8.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.981 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.58 151.33 87.15 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.34 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.23 -26.92 56.44 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.478 2.118 . . . . 0.0 111.965 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.96 -40.76 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.31 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.68 -48.94 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.778 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.03 -42.59 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.532 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.55 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.653 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.85 -42.39 94.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.05 -44.12 95.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.1 mt -64.14 -43.67 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -44.8 97.26 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.01 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 0.0 110.125 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.02 -38.47 86.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.887 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.22 -41.96 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.825 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.98 -39.86 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -44.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.518 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.56 -43.51 59.69 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.137 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.3 t90 -66.98 -45.86 76.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.575 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 16.4 tt -64.99 -44.11 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.416 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 83.0 mt -65.49 -41.99 92.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.454 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' PHE . 8.0 tpt180 -70.37 -20.04 62.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.31 -43.43 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.958 0.408 . . . . 0.0 110.106 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -61.36 -44.97 96.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.1 m-85 -131.77 134.17 45.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.684 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.7 -40.27 96.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.48 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.82 -19.12 64.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -62.03 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 43.8 t -103.17 97.96 7.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.53 151.34 87.25 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.366 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.4 -26.83 55.24 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.396 2.064 . . . . 0.0 111.839 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.97 -40.77 83.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.288 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -48.88 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.806 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -69.22 -42.38 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.42 97.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.578 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.78 -42.52 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.628 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.403 HD12 HG22 ' B' ' 32' ' ' ILE . 97.2 mt -65.01 -44.02 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 110.563 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.18 -43.88 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.88 97.21 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.83 -42.85 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.06 0.457 . . . . 0.0 110.173 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.11 -38.45 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.999 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.48 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.95 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.909 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.68 -40.06 90.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.059 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.512 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.37 -43.75 60.0 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.171 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -66.88 -45.87 76.72 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.576 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 16.3 tt -65.02 -44.04 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.413 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 82.4 mt -65.47 -42.0 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.01 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.58 -42.64 99.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 48' ' ' PHE . 8.0 tpt180 -70.51 -19.83 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.35 -43.43 98.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 110.036 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -61.31 -45.2 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.1 m-85 -131.68 134.34 45.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.449 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.685 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.49 -40.36 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.81 -19.13 64.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.03 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 44.0 t -103.08 97.95 7.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.071 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.6 151.44 87.14 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.277 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.36 -26.93 55.45 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.413 2.076 . . . . 0.0 111.821 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.94 -40.82 83.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.51 HG11 ' H3 ' ' A' ' 100' ' ' A2Y . 78.8 t -61.53 -49.11 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.0 -42.48 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.61 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.92 -42.49 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.97 -44.01 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -64.25 -43.58 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -44.71 97.33 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.01 -42.81 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.944 0.402 . . . . 0.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.95 -38.55 86.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.917 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.8 t60 -58.19 -41.92 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.923 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.87 -39.9 90.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.144 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.13 -44.5 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.591 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.53 -43.5 59.84 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.428 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -67.03 -45.82 76.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.593 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 16.4 tt -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.421 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 83.0 mt -65.4 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.6 -42.62 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' C' ' 48' ' ' PHE . 8.0 tpt180 -70.43 -19.94 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.29 -43.49 98.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.038 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -61.25 -45.11 95.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.45 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.1 m-85 -131.82 134.22 45.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.644 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.6 -40.34 96.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.502 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.77 -19.15 64.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.501 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.16 -43.19 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.73 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.7 t -103.22 98.01 8.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.995 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.52 151.4 87.28 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.382 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.42 -26.79 55.11 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.545 2.163 . . . . 0.0 111.837 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.04 -40.8 82.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.62 -48.89 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.2 -42.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.52 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.613 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.499 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.89 -42.52 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.87 -44.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 89.9 mt -64.19 -43.67 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.66 97.41 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.02 -42.81 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.95 -38.63 86.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.919 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.467 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.28 -41.86 85.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.872 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.78 -39.94 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.24 -44.44 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.506 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.5 -43.7 59.52 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.087 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.3 t90 -66.82 -45.94 76.72 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.563 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 16.3 tt -64.92 -44.02 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.462 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.441 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 82.5 mt -65.6 -41.81 92.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.954 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.73 -42.73 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.467 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' D' ' 48' ' ' PHE . 7.9 tpt180 -70.36 -20.04 62.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.31 -43.36 99.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.947 0.404 . . . . 0.0 110.106 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -61.36 -45.12 95.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.1 m-85 -131.6 134.25 45.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.643 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.51 ' H3 ' HG11 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' H3 ' ' H ' ' A' ' 20' ' ' ASN . 31.0 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' H ' ' H3 ' ' A' ' 19' ' ' SER . 99.7 m-20 -81.95 137.83 35.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -85.25 -2.71 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.4 m -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.477 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.1 p -84.79 85.62 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.71 151.39 94.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.223 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.13 -19.2 51.24 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.481 2.12 . . . . 0.0 111.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.9 -41.55 99.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.49 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.36 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.401 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.3 -44.31 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.375 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.61 78.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.092 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -40.88 70.64 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.453 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -68.85 -46.66 67.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 33' ' ' ILE . 20.1 tt -65.26 -42.39 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.436 ' N ' ' CG2' ' A' ' 32' ' ' ILE . 81.6 mt -64.07 -43.84 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -45.52 95.03 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.51 -42.86 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.329 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.22 -40.97 95.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.486 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -58.12 -40.52 81.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.136 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 1.9 mt -59.88 -41.38 91.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.15 -47.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.168 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -66.22 -42.74 88.28 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.21 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.481 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.5 t90 -65.53 -40.92 93.46 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.64 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.82 -43.99 98.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.033 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.307 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.47 -40.68 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 48' ' ' PHE . 82.3 mtp180 -60.48 -23.77 64.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.804 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.37 -44.4 97.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.431 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 80.4 m-85 -64.01 -45.36 89.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.525 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.4 m-85 -134.52 142.82 47.13 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.58 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -82.05 137.8 34.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.476 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -85.3 -2.69 58.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.0 m -61.14 -43.23 99.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 82.3 p -84.75 85.67 7.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.78 151.36 95.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.255 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.07 -19.21 51.63 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.563 2.175 . . . . 0.0 111.885 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.35 -46.12 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.52 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.29 -44.27 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.66 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.144 0.497 . . . . 0.0 110.224 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.02 70.68 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.434 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -68.82 -46.53 68.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.251 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' B' ' 33' ' ' ILE . 20.1 tt -65.41 -42.31 93.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.692 -179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.429 ' N ' ' CG2' ' B' ' 32' ' ' ILE . 83.1 mt -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.531 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.28 -45.63 94.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.41 -43.02 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.021 0.439 . . . . 0.0 110.367 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.05 -40.95 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.473 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.4 t60 -58.11 -40.5 81.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.101 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.44 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 2.0 mt -60.03 -41.28 91.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.35 -47.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.108 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.9 mm? -66.3 -42.84 87.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.162 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.486 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.37 -40.93 94.16 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.038 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -38.77 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.368 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.5 -40.85 79.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.274 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 48' ' ' PHE . 82.3 mtp180 -60.39 -23.63 64.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.321 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' B' ' 48' ' ' PHE . 80.3 m-85 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.557 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.6 m-85 -134.62 142.84 47.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.636 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.86 137.93 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.42 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -85.4 -2.77 58.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -61.16 -43.25 99.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -84.67 85.69 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.379 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.81 151.27 95.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.254 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.96 -19.32 52.19 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.476 2.117 . . . . 0.0 111.968 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.66 -41.67 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.599 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.43 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.37 -44.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.356 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.64 78.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.14 0.495 . . . . 0.0 110.262 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.99 70.91 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.88 -46.55 68.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.27 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' C' ' 33' ' ' ILE . 20.1 tt -65.3 -42.38 93.68 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.669 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.426 ' N ' ' CG2' ' C' ' 32' ' ' ILE . 82.0 mt -64.07 -43.69 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.66 94.68 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.46 -43.0 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.247 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.04 -41.09 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.485 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -57.92 -40.78 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.003 0.43 . . . . 0.0 110.117 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.427 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 2.0 mt -59.87 -41.21 91.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.605 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.29 -47.92 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.157 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 3.9 mm? -66.13 -42.72 88.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.287 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.473 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.6 t90 -65.57 -40.82 93.22 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.774 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.72 -44.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -38.75 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.323 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.41 -40.73 78.95 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.307 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' C' ' 48' ' ' PHE . 82.3 mtp180 -60.52 -23.64 64.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.347 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' C' ' 48' ' ' PHE . 80.4 m-85 -63.98 -45.33 89.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.5 m-85 -134.49 142.73 47.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.55 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.607 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -82.01 137.91 34.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.44 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -85.33 -2.83 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.35 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 46.0 m -61.13 -43.23 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.491 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 82.0 p -84.73 85.68 7.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.189 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.88 151.19 95.51 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.258 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.87 -19.24 52.78 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.417 2.078 . . . . 0.0 111.923 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.8 -41.51 99.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.37 -46.19 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.37 -44.32 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.74 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 0.0 110.233 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.19 -40.97 70.87 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.522 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -68.72 -46.66 68.35 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' D' ' 33' ' ' ILE . 20.1 tt -65.28 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.724 0.297 . . . . 0.0 110.726 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.427 ' N ' ' CG2' ' D' ' 32' ' ' ILE . 82.7 mt -63.98 -43.83 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.54 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.35 -45.39 95.15 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.67 -42.89 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.98 -41.05 95.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.049 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.481 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.3 t60 -58.04 -40.65 81.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 1.9 mt -59.88 -41.28 91.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.523 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.36 -47.9 88.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.978 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 3.9 mm? -66.22 -42.85 88.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.168 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.485 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.6 t90 -65.42 -40.92 93.93 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.715 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.75 -44.0 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.997 0.427 . . . . 0.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.82 92.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.46 -40.75 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.2 mtp180 -60.46 -23.59 64.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.53 -44.34 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.343 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' D' ' 48' ' ' PHE . 80.3 m-85 -64.11 -45.19 89.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.57 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.5 m-85 -134.62 142.74 46.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.484 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.628 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 19' ' ' SER . 6.8 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' H ' ' H2 ' ' A' ' 19' ' ' SER . 99.1 m-20 55.86 32.86 20.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.473 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.76 -38.26 90.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -42.46 96.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.897 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 t -140.01 126.08 19.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 109.944 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.1 150.31 21.21 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.63 -15.42 37.57 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.618 2.212 . . . . 0.0 112.275 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD1' ' ND2' ' B' ' 31' ' ' ASN . 56.4 tp -60.13 -43.79 95.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.2 -36.62 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.26 -44.63 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.04 84.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.279 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.216 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.83 -42.15 90.94 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.341 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.45 -43.91 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.459 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.35 82.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.453 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.18 -44.6 93.68 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.411 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.26 -38.94 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.753 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.4 t60 -58.63 -41.23 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.44 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.02 -38.85 87.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.09 -44.7 98.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.833 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.82 -43.55 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.535 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.507 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 89.4 t90 -68.51 -40.15 80.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.741 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.53 -43.33 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.5 -40.08 95.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.734 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.91 -43.82 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.459 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 95.6 mtt-85 -84.43 -13.83 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 46' ' ' LEU . 7.9 tt -62.22 -46.05 90.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -63.02 -45.18 93.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.874 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' A' ' 45' ' ' ARG . 61.4 m-85 -107.64 116.14 31.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.626 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' B' ' 19' ' ' SER . 6.9 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 55.85 32.85 20.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.472 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.82 -38.02 89.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -60.35 -42.69 96.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.5 t -139.9 125.96 19.78 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.02 150.21 20.84 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.61 -15.45 37.64 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.729 2.286 . . . . 0.0 112.219 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.93 -43.76 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.23 -36.85 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 110.442 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.19 -44.38 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -35.47 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.238 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.402 ' ND2' ' CD1' ' A' ' 26' ' ' LEU . 32.8 t30 -65.92 -41.96 90.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.365 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.64 -43.76 93.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.45 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.417 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.65 94.08 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.16 -39.11 88.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.116 0.484 . . . . 0.0 109.788 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.51 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -58.56 -41.17 85.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.543 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.11 -38.56 86.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.364 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 -44.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.921 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.9 -43.46 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.648 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.522 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 89.5 t90 -68.43 -40.21 81.27 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.44 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.96 -43.63 94.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 95.6 mtt-85 -84.51 -13.91 50.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' B' ' 46' ' ' LEU . 7.9 tt -62.2 -45.95 91.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.494 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' B' ' 45' ' ' ARG . 61.2 m-85 -107.76 115.93 31.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.577 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.663 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' C' ' 19' ' ' SER . 7.0 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.9 32.85 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.65 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -60.35 -42.6 96.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -139.98 126.13 19.87 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.16 150.28 21.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.536 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.74 -15.32 37.12 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.69 2.26 . . . . 0.0 112.25 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.2 -43.83 95.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.17 -36.68 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.2 -44.56 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.593 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.83 83.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.63 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.253 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -65.89 -42.1 90.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.225 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.51 -43.89 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.495 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.34 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.439 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -44.5 93.8 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.33 -43.31 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.329 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.27 -38.96 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.825 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.509 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.2 t60 -58.62 -41.24 85.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.472 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.9 -38.79 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.296 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.27 -44.45 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.962 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.04 -43.43 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.602 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.5 t90 -68.5 -40.15 80.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.51 -43.36 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.48 -40.22 95.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.671 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.82 -43.72 94.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.399 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.501 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.5 mtt-85 -84.6 -13.76 50.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' C' ' 46' ' ' LEU . 7.9 tt -62.19 -46.16 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.515 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -62.95 -45.15 93.82 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.925 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 45' ' ' ARG . 61.3 m-85 -107.59 116.06 31.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.601 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.668 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.97 32.83 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.75 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.6 t -60.37 -42.63 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -140.03 126.21 19.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.018 0.437 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.14 150.29 21.61 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.499 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.65 -15.46 37.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.685 2.257 . . . . 0.0 112.169 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -43.83 94.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.052 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.23 -36.65 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.34 -44.54 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.526 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.96 84.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.264 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.49 80.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.192 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -66.03 -41.9 90.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.119 -0.633 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.55 -43.87 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.49 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.416 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.68 94.13 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.19 -43.32 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.25 -38.99 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.506 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -58.71 -41.1 85.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.472 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.05 -38.65 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.332 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.96 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.84 -43.5 79.37 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.4 t90 -68.41 -40.31 81.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.31 -43.52 97.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.45 -40.08 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 95.6 mtt-85 -84.54 -13.66 51.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' D' ' 46' ' ' LEU . 7.9 tt -62.22 -46.19 90.0 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.44 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -62.99 -45.09 94.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' D' ' 45' ' ' ARG . 61.1 m-85 -107.57 116.02 31.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.507 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.678 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 58.8 m . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 19' ' ' SER . 29.3 m120 -150.7 164.22 36.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.85 -5.34 57.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -61.49 -36.22 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.9 t -153.09 129.64 10.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.093 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.69 151.42 96.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.528 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.66 -19.05 54.18 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.642 2.228 . . . . 0.0 111.966 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.9 mp -62.44 -41.64 98.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.45 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.5 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.742 0.306 . . . . 0.0 110.41 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.32 -46.49 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.03 77.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.789 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.25 -41.92 96.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG23 HD13 ' A' ' 32' ' ' ILE . 97.1 mt -64.57 -43.99 96.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.462 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 83.6 mt -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -42.96 99.79 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.77 -43.13 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.52 -38.98 89.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.462 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.1 t60 -58.51 -41.39 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.183 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.21 -38.47 86.73 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.671 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.02 -45.37 95.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.928 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.69 -44.4 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.59 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -65.67 -39.27 91.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.9 -45.31 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.19 -39.5 92.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.904 0.383 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 85.8 m-20 -60.61 -45.13 95.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 59.2 ttm-85 -78.73 -21.06 48.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.612 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.3 -42.85 99.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.367 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 48' ' ' PHE . 75.9 m-85 -93.64 40.62 1.07 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -45.84 173.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.269 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.956 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.428 ' O ' ' ND2' ' B' ' 20' ' ' ASN . 58.7 m . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' B' ' 19' ' ' SER . 29.3 m120 -150.89 163.96 37.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.59 -5.3 56.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 81.9 p -61.46 -36.38 80.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -153.0 129.27 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.108 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 151.41 95.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.558 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.62 -19.21 54.29 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.653 2.236 . . . . 0.0 111.947 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.8 mp -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.432 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.65 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.56 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.23 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.503 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.73 88.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.751 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.02 -42.14 97.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.433 HD13 HG23 ' B' ' 32' ' ' ILE . 97.0 mt -64.33 -44.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.577 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.2 mt -62.93 -43.76 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.08 -42.87 99.93 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.88 -43.03 97.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.438 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.64 -38.76 88.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.469 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.0 t60 -58.46 -41.46 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.231 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.445 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 6.4 mt -61.27 -38.4 86.59 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.9 -45.72 94.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.889 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -71.38 -44.41 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.578 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.462 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.74 -39.25 90.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.97 -45.34 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 110.456 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.14 -39.58 93.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.528 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 87.5 m-20 -60.58 -45.05 95.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.435 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 59.1 ttm-85 -78.85 -21.11 48.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.3 -42.71 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.425 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 48' ' ' PHE . 75.9 m-85 -93.61 40.69 1.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -45.85 173.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.193 179.517 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.024 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' C' ' 20' ' ' ASN . 57.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' C' ' 19' ' ' SER . 29.1 m120 -151.2 164.05 37.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.68 -5.4 56.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -61.53 -36.4 80.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 37.8 t -152.89 129.42 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.16 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.42 151.35 96.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.6 -19.22 54.35 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.638 2.225 . . . . 0.0 111.948 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 9.8 mp -62.27 -41.77 98.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.367 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.48 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.29 -46.56 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.57 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.74 88.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.12 77.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.429 HD22 ' H25' ' A' ' 100' ' ' A2Y . 6.3 m120 -63.99 -42.12 97.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.718 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.39 -44.07 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 83.1 mt -63.04 -43.67 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.83 99.91 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.79 -43.14 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.402 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.69 -38.88 89.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.459 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -58.47 -41.37 85.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.239 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.13 -38.53 86.71 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.98 -45.5 95.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.911 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.57 -44.47 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.59 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.469 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -65.53 -39.3 91.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.603 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.81 -45.53 96.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.03 -39.45 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.0 110.647 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 m-20 -60.86 -45.2 95.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 59.0 ttm-85 -78.6 -21.01 49.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.344 . . . . 0.0 110.609 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' C' ' 48' ' ' PHE . 75.9 m-85 -93.54 40.62 1.07 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' C' ' 48' ' ' PHE . 0.1 OUTLIER -46.01 173.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.178 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.913 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' D' ' 20' ' ' ASN . 58.5 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' D' ' 19' ' ' SER . 29.1 m120 -150.92 164.21 36.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.89 -5.11 56.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -36.15 80.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.0 t -153.09 129.29 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.234 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.32 151.39 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.6 -19.25 54.36 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.683 2.255 . . . . 0.0 112.021 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' D' ' 26' ' ' LEU . 9.7 mp -62.15 -41.9 98.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.447 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.49 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.39 -46.5 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.19 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -64.06 -42.02 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.597 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -43.95 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 83.6 mt -63.03 -43.79 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.97 99.98 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.81 -43.19 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.59 -38.69 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.353 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.478 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.0 t60 -58.52 -41.42 85.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.233 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.442 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 6.4 mt -61.1 -38.62 86.96 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.611 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.02 -45.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -71.54 -44.38 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.546 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.459 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.8 t90 -65.67 -39.26 91.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.599 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.95 -45.36 97.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.356 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.28 -39.54 92.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.629 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 88.1 m-20 -60.54 -45.06 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.541 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 59.1 ttm-85 -78.79 -21.14 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.649 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.325 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 75.9 m-85 -93.55 40.68 1.07 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' D' ' 48' ' ' PHE . 0.1 OUTLIER -46.06 173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.12 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.896 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.429 ' H25' HD22 ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' SER . 9.8 t-20 56.57 41.73 28.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.79 -16.73 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.8 m -58.79 -43.08 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.658 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 66.3 m -147.77 114.37 6.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.837 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.87 153.39 82.98 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.418 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.3 -38.69 26.65 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.939 1.759 . . . . 0.0 112.315 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 10.3 mp -62.2 -42.3 99.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.506 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.9 -47.23 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.464 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.84 -45.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.8 89.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.848 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.68 -41.97 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.405 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -43.06 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.4 mm -61.85 -43.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.82 -42.64 99.77 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.38 -43.46 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.28 -38.14 88.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -58.68 -41.74 86.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.02 -40.23 92.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.05 -44.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.638 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.64 -43.85 58.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.197 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 68.1 t90 -66.34 -47.39 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.357 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.06 -39.8 86.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.27 -41.03 98.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.74 -43.69 94.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.467 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 -68.99 -19.42 64.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.59 -44.13 97.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.145 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -92.56 40.5 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.615 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.2 136.35 7.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.425 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.584 -179.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 23' ' ' SER . 9.8 t-20 56.73 41.62 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.73 -16.72 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.608 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.5 m -58.92 -42.96 90.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' B' ' 20' ' ' ASN . 66.1 m -147.82 114.41 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.777 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 153.38 82.71 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.371 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.28 -38.72 26.54 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.934 1.756 . . . . 0.0 112.313 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.3 mp -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.497 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.67 -47.23 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.624 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.82 -45.8 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.81 94.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.29 -45.67 90.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.64 -42.04 98.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.1 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.4 mm -61.95 -43.69 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.73 99.8 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.27 -43.46 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.365 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.18 -38.31 88.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.7 t60 -58.51 -41.8 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.93 -40.28 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.06 -44.56 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.63 -43.86 58.48 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.52 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 67.6 t90 -66.24 -47.35 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.431 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.08 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.125 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.17 -41.09 97.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.95 -43.48 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.393 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.52 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.6 mtt-85 -69.03 -19.48 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.65 -44.04 97.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 110.159 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -92.58 40.55 1.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.39 136.54 7.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.391 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.499 -179.745 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' C' ' 23' ' ' SER . 9.9 t-20 56.8 41.68 27.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.71 -16.82 63.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 56.4 m -58.88 -42.97 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.625 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' C' ' 20' ' ' ASN . 66.6 m -147.77 114.53 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 153.46 82.71 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.44 -38.6 27.57 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 121.946 1.764 . . . . 0.0 112.231 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -62.37 -42.16 99.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.535 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.87 -47.19 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.77 -45.95 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.67 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.775 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.494 ' OD1' ' H25' ' A' ' 100' ' ' A2Y . 98.9 m-20 -63.63 -42.05 98.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.383 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.12 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.492 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -61.8 -43.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.533 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.74 99.8 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.34 -43.47 97.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.17 -38.25 88.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.19 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -58.68 -41.63 86.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.022 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.01 -40.35 93.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -44.55 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.544 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -43.81 58.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.227 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 67.7 t90 -66.35 -47.39 73.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.41 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 tt -64.91 -39.84 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.116 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.744 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.74 -43.66 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.518 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 -68.89 -19.54 64.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.927 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.53 -44.17 97.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.161 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -92.59 40.67 1.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.694 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.43 136.5 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' D' ' 23' ' ' SER . 9.9 t-20 56.81 41.65 27.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.79 -16.68 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 56.6 m -58.99 -42.98 91.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' D' ' 20' ' ' ASN . 66.2 m -147.69 114.43 6.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.786 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.9 153.43 82.93 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.433 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.35 -38.71 27.02 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.947 1.765 . . . . 0.0 112.24 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' D' ' 26' ' ' LEU . 10.4 mp -62.26 -42.3 99.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.38 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.9 -47.22 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.419 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.87 -45.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.94 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.77 90.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.01 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -43.02 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -61.92 -43.72 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.515 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.66 -42.85 99.82 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.13 -43.5 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.19 -38.23 88.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.8 t60 -58.58 -41.74 86.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -61.1 -40.19 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.93 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.557 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.59 -43.83 58.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.528 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 67.7 t90 -66.4 -47.28 73.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.373 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.6 tt -65.23 -39.46 85.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.121 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.47 -41.06 98.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -43.58 94.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.35 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.6 mtt-85 -69.02 -19.41 64.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.884 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.111 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -92.72 40.68 1.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.908 0.385 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -46.37 136.47 7.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.458 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.518 -179.727 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.494 ' H25' ' OD1' ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.05 173.64 8.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.58 -39.07 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -57.59 -41.21 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -103.71 96.56 6.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.833 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.28 152.55 81.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.48 -39.14 16.81 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.147 1.898 . . . . 0.0 112.348 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 10.4 mp -62.56 -42.33 99.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.528 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.24 -46.19 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.59 -48.3 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.531 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.76 84.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.514 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.45 -43.12 95.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.439 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.93 -43.39 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 96.8 mt -62.76 -42.69 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.391 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -47.84 64.79 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -65.37 -42.49 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.39 -42.29 98.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.57 -44.32 97.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.709 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.515 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 0.9 OUTLIER -59.87 -40.07 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.644 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.21 -43.78 98.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.35 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.53 -41.93 65.3 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -68.82 -47.66 65.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.361 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 15.3 tt -65.05 -40.67 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 54.2 tp -62.95 -40.44 97.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.447 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' PHE . 98.8 m-20 -61.67 -33.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.608 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -55.85 -41.86 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.313 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.69 -40.78 96.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.369 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 85.0 m-85 -89.79 -4.95 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.511 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ASP . 95.0 m-85 -155.58 66.02 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.707 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' OXT' ' CZ ' ' D' ' 48' ' ' PHE . 26.2 pttm . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.661 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.2 173.87 8.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.88 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -57.95 -41.11 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.4 t -103.78 96.1 6.47 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.13 152.58 82.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.47 -39.14 16.77 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.263 1.975 . . . . 0.0 112.407 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.4 mp -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.24 -46.21 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.34 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.56 -48.22 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.19 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.49 76.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.995 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.22 95.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.16 -43.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.405 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.9 mt -62.57 -42.74 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.27 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.46 -42.52 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.43 -42.1 98.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.46 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.3 t60 -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.759 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -59.85 -40.14 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.3 -43.69 98.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.388 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.4 -42.04 65.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.9 t90 -68.99 -47.61 65.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.284 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 15.2 tt -64.95 -40.9 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.937 0.399 . . . . 0.0 110.322 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 53.9 tp -62.78 -40.62 97.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' B' ' 48' ' ' PHE . 99.5 m-20 -61.44 -33.88 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.472 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.79 -41.86 74.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.86 -40.85 96.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.29 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 84.9 m-85 -89.79 -4.71 57.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.421 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.497 ' CE2' ' OXT' ' C' ' 49' ' ' LYS . 95.8 m-85 -155.69 66.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.702 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.599 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -88.2 173.8 8.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.66 -39.0 92.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -58.03 -41.06 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -103.8 96.38 6.66 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.26 152.78 81.88 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -45.69 -39.11 17.9 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.139 1.893 . . . . 0.0 112.378 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -62.47 -42.39 99.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.26 -46.03 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -48.19 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.87 84.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.94 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.28 -43.21 95.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.68 -43.47 98.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 96.8 mt -62.71 -42.68 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.9 -47.7 64.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.59 -42.49 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.55 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.48 -42.07 98.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -61.53 -44.42 97.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.839 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 0.9 OUTLIER -59.69 -40.15 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -178.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.21 -43.75 98.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.417 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.65 -41.95 64.91 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.46 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.85 -47.62 65.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 15.3 tt -65.01 -40.84 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 53.7 tp -62.84 -40.49 97.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' C' ' 48' ' ' PHE . 99.3 m-20 -61.54 -33.93 74.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.472 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.65 -41.92 74.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.286 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.222 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 85.3 m-85 -89.78 -4.95 57.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.424 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' C' ' 44' ' ' ASP . 94.6 m-85 -155.63 66.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.497 ' OXT' ' CE2' ' B' ' 48' ' ' PHE . 26.2 pttm . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.64 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.45 173.82 8.47 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.81 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -58.03 -40.86 81.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -104.0 96.32 6.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -77.36 152.65 81.53 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.463 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.48 -39.05 16.72 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.162 1.908 . . . . 0.0 112.329 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' D' ' 26' ' ' LEU . 10.4 mp -62.52 -42.52 99.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 110.474 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.18 -46.07 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.75 -48.18 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.22 86.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.69 76.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.001 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.11 95.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mm -64.11 -43.18 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.589 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.8 mt -62.76 -42.74 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.25 61.55 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -65.25 -42.42 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.647 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.57 -42.16 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.682 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.448 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.3 t60 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 0.9 OUTLIER -59.79 -40.06 87.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.23 -43.84 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.291 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.35 -41.92 65.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.2 t90 -68.93 -47.73 65.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.276 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 15.2 tt -64.96 -40.8 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.267 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 54.0 tp -62.91 -40.48 97.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.405 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' D' ' 48' ' ' PHE . 99.2 m-20 -61.58 -33.9 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -55.51 -42.02 73.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.69 -40.78 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 85.2 m-85 -89.81 -4.91 57.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.468 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' D' ' 44' ' ' ASP . 95.6 m-85 -155.52 66.54 0.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.668 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -80.54 -6.62 58.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 35.6 p-10 -90.76 0.82 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.53 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -61.14 -44.19 97.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -149.12 -143.8 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.171 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.14 115.51 62.91 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 -16.18 23.06 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.806 1.671 . . . . 0.0 111.981 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.27 -41.82 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.39 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.563 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.37 -44.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.14 95.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.53 -36.64 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.58 -38.63 91.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.95 -41.74 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.243 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.42 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.548 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.21 -55.95 26.79 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.283 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 35' ' ' ILE . 1.8 mp -69.77 -43.79 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.576 0.227 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.2 -45.55 94.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.785 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.2 t60 -60.55 -40.58 92.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 12.2 mt -60.73 -39.58 89.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.41 -44.52 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.969 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.2 mm? -71.63 -43.06 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.22 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -69.3 -45.89 68.5 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 17.1 tt -63.59 -43.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.253 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 82.2 mt -65.4 -42.14 92.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.2 t0 -53.75 -34.92 60.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.64 -42.39 88.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 10.1 mp -62.27 -44.7 95.94 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.768 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.55 -45.68 82.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.72 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.4 150.26 34.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.499 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -80.71 -6.61 58.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -90.65 0.62 57.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.97 -44.13 97.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.969 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -149.28 -143.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.142 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.05 115.55 63.01 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.551 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.17 -15.92 22.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.733 1.622 . . . . 0.0 112.098 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.4 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t -62.3 -46.21 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.611 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.53 -44.83 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.35 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.71 73.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.47 -38.67 92.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.1 -41.91 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.272 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.31 -43.23 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.582 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.39 -55.87 27.37 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.258 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.97 -43.67 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 120.666 0.269 . . . . 0.0 110.978 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.22 -45.69 93.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.706 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.75 91.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.043 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.415 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.3 mt -60.7 -39.59 89.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.237 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.17 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -71.59 -43.12 66.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.199 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -69.4 -45.73 68.56 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 17.0 tt -63.64 -43.55 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.318 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.444 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 82.4 mt -65.52 -42.09 92.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.0 t0 -53.95 -34.79 60.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -58.62 -42.48 88.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' B' ' 46' ' ' LEU . 10.1 mp -62.23 -44.72 95.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.778 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.34 -45.84 82.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.896 0.379 . . . . 0.0 110.718 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -147.39 150.23 34.27 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.444 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -80.64 -6.64 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 35.5 p-10 -90.63 0.73 57.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.09 -44.07 97.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -149.18 -143.79 0.14 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -87.06 115.54 62.98 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.21 -15.86 22.65 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.612 1.542 . . . . 0.0 112.06 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.34 -41.89 98.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.822 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -62.25 -46.42 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.3 -44.87 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.18 95.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.64 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.449 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -38.76 92.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.14 -41.69 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.327 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.4 -43.35 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.29 -55.91 27.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.229 -0.986 . . . . 0.0 111.324 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' C' ' 35' ' ' ILE . 1.8 mp -69.96 -43.78 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.98 -45.78 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.798 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.1 t60 -60.36 -40.7 91.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.092 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.406 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 12.3 mt -60.75 -39.45 88.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.65 99.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.093 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 4.2 mm? -71.58 -43.12 66.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.168 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -69.35 -45.78 68.59 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 17.0 tt -63.65 -43.51 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.262 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 82.3 mt -65.47 -42.24 92.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.774 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.1 t0 -53.77 -34.96 60.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.314 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.59 -42.45 88.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' C' ' 46' ' ' LEU . 10.1 mp -62.26 -44.74 95.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.38 -45.75 82.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.849 0.357 . . . . 0.0 110.708 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.48 150.16 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.632 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -80.54 -6.65 58.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 35.7 p-10 -90.65 0.75 57.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.02 -44.16 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -149.2 -143.75 0.14 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.199 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.2 115.66 63.44 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.26 -16.06 22.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.812 1.674 . . . . 0.0 111.944 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.41 -41.72 98.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.42 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.625 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.38 -45.03 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.13 96.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.761 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.48 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.54 -38.73 92.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.97 -42.04 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.18 -43.37 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.542 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.46 -55.77 27.94 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.266 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' D' ' 35' ' ' ILE . 1.8 mp -69.98 -43.74 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.03 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.805 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.426 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.2 t60 -60.57 -40.56 92.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.09 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.404 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 12.2 mt -60.72 -39.69 89.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.046 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.64 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.035 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.2 mm? -71.45 -43.11 67.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.256 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -69.45 -45.76 68.33 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 17.0 tt -63.58 -43.79 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.214 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 82.3 mt -65.27 -42.21 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.865 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.1 t0 -53.83 -34.93 60.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.249 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.56 -42.43 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' D' ' 46' ' ' LEU . 10.0 mp -62.2 -44.86 95.63 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.786 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.34 -45.87 82.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.837 0.351 . . . . 0.0 110.67 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -147.38 150.37 34.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.528 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -70.51 -22.4 62.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.14 -43.77 92.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -62.09 -39.58 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.525 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 t -156.95 127.8 6.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -79.24 152.59 76.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.36 -18.07 54.69 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.657 2.238 . . . . 0.0 112.232 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.94 -41.18 97.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.34 -46.68 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.71 -45.62 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.87 96.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.12 -42.87 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.62 -44.67 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -64.57 -43.93 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.4 90.07 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.33 -42.91 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.004 0.431 . . . . 0.0 110.278 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -39.89 84.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.1 t60 -58.53 -40.6 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.4 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.05 -39.81 87.26 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.82 -44.03 93.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -73.48 -44.91 56.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.056 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.4 t90 -64.65 -39.38 93.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -46.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.613 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.45 -37.91 88.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.892 0.377 . . . . 0.0 110.62 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 95.2 m-20 -58.5 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.509 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 52.4 ttm-85 -65.05 -52.11 57.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.067 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 4.0 mm? -63.38 -42.83 98.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 49' ' ' LYS . 62.6 m-85 -101.26 40.71 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.382 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.71 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 47' ' ' PHE . 88.1 tttt . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.504 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.22 -22.44 62.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.01 -43.53 91.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.417 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -62.52 -39.07 92.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 45.1 t -157.13 127.91 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.3 OUTLIER -79.53 152.38 75.46 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.569 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.11 -18.22 56.12 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.706 2.271 . . . . 0.0 112.142 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.91 -40.85 96.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.44 HG12 ' H3 ' ' A' ' 100' ' ' A2Y . 87.2 t -61.85 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.58 -44.92 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.17 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.628 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.98 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.26 -42.85 87.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.776 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.79 -44.32 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.656 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 94.0 mt -64.8 -43.91 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.3 -47.53 89.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.23 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.09 -40.21 84.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.443 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.2 t60 -58.36 -40.55 82.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.286 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.05 -43.98 93.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.4 -45.17 56.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.04 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.458 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.1 t90 -64.32 -39.48 94.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.68 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.52 -46.63 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.16 -37.6 87.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.412 . . . . 0.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.53 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 94.9 m-20 -58.85 -43.19 90.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.53 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 52.3 ttm-85 -64.77 -52.23 58.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' B' ' 46' ' ' LEU . 4.0 mm? -63.31 -43.08 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' B' ' 49' ' ' LYS . 63.5 m-85 -101.02 40.81 1.24 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.446 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -45.83 86.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 47' ' ' PHE . 87.9 tttt . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.569 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.29 -22.81 62.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -58.38 -44.1 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.445 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.07 -39.11 91.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -157.39 127.49 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.47 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.3 OUTLIER -79.03 152.46 76.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.444 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.19 -18.03 55.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.665 2.244 . . . . 0.0 112.247 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.02 -40.8 96.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.99 -45.96 97.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.39 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.72 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.68 -42.71 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.77 -44.88 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 94.2 mt -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.1 -47.61 88.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.18 -42.79 97.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.995 0.426 . . . . 0.0 110.177 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.348 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.2 t60 -58.75 -40.75 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.312 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.442 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.22 -39.4 86.49 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.14 -43.99 94.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 4.0 mm? -73.43 -44.76 57.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.104 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.3 t90 -64.78 -39.15 93.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.795 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.411 HD11 HG22 ' C' ' 42' ' ' ILE . 51.3 mt -64.74 -46.78 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.11 -38.04 89.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.5 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 92.4 m-20 -58.47 -43.62 89.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.449 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.53 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 52.5 ttm-85 -64.32 -52.12 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' C' ' 46' ' ' LEU . 4.0 mm? -63.54 -42.83 98.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.569 ' O ' ' N ' ' C' ' 49' ' ' LYS . 63.0 m-85 -101.45 40.88 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' C' ' 48' ' ' PHE . 0.0 OUTLIER -45.81 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.601 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' C' ' 47' ' ' PHE . 88.0 tttt . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.529 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -70.52 -22.76 62.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.6 -43.81 89.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.427 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -62.6 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -158.05 127.81 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.472 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.3 OUTLIER -79.59 152.57 75.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -17.78 55.24 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.265 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.12 -41.03 97.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.94 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.422 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.34 -45.08 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.18 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.74 99.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -65.49 -43.01 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.47 -44.86 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.628 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 93.3 mt -64.28 -44.14 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.81 -47.88 87.45 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.18 -43.0 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.386 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.82 -39.87 82.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.482 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.1 t60 -58.6 -40.76 84.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.305 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.4 mt -60.01 -39.54 86.16 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.018 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.96 -44.08 93.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.0 mm? -73.36 -44.42 58.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.181 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.4 t90 -65.1 -39.36 93.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.416 HD11 HG22 ' D' ' 42' ' ' ILE . 50.7 mt -64.64 -46.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.15 -37.79 88.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.996 0.427 . . . . 0.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.506 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 93.9 m-20 -58.64 -43.42 89.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.527 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 53.1 ttm-85 -64.54 -52.48 57.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' D' ' 46' ' ' LEU . 4.0 mm? -63.2 -42.81 99.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.037 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' D' ' 49' ' ' LYS . 63.1 m-85 -101.27 40.79 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.641 ' N ' ' CD1' ' D' ' 48' ' ' PHE . 0.0 OUTLIER -45.92 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' D' ' 47' ' ' PHE . 88.1 tttt . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.432 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.44 ' H3 ' HG12 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 55.97 40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.5 -40.07 90.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.14 -43.93 98.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.23 100.77 8.6 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.91 133.14 92.2 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.483 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.06 -19.18 30.31 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.742 1.628 . . . . 0.0 112.348 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.24 -45.21 94.36 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.634 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.7 -45.47 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.09 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.14 78.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.13 -41.59 97.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.87 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 86.6 mt -63.59 -43.47 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.38 98.14 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -42.92 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.81 -38.25 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.33 -41.46 84.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.962 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.63 -40.14 90.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.175 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.42 -44.42 99.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.464 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.36 -43.76 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.6 t90 -67.93 -46.7 70.79 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.667 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.65 -38.77 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.125 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.79 -42.14 98.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.655 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.3 m-20 -60.7 -42.69 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.28 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' PHE . 5.8 tmm_? -67.4 -21.18 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.677 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.5 -47.4 84.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.26 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -62.49 -46.74 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.724 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' ARG . 72.4 m-85 -113.01 120.22 40.6 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.37 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.515 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 56.0 39.96 30.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.47 -40.0 89.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.12 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.643 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.19 100.65 8.53 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.77 133.07 91.83 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.09 -19.21 30.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.872 1.715 . . . . 0.0 112.215 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.28 -45.17 94.47 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.587 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.82 -45.5 94.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.87 -45.28 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.08 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.614 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.03 -41.64 97.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.86 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 87.1 mt -63.46 -43.66 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.94 -42.93 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 0.0 110.111 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.82 -38.21 84.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.837 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.477 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -58.31 -41.66 84.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.961 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.2 mt -60.47 -40.26 90.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.16 -44.46 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.612 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.31 -43.99 63.37 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.255 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.3 t90 -67.7 -46.81 71.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.51 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.7 -38.79 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.048 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.8 -42.19 98.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.58 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.448 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.4 m-20 -60.73 -42.7 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.187 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 5.8 tmm_? -67.4 -21.19 65.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.663 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.36 -47.58 83.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.309 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -62.34 -46.75 87.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.734 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 45' ' ' ARG . 72.2 m-85 -113.09 120.15 40.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.581 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 55.97 40.06 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -39.99 90.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.726 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -61.2 -43.96 98.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -114.13 100.68 8.56 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.8 133.17 91.93 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.549 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.17 -19.09 30.04 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.756 1.637 . . . . 0.0 112.306 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.39 -45.07 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.741 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.79 -45.4 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.561 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.91 -45.29 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.95 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.656 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.2 -41.66 96.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 87.0 mt -63.52 -43.64 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.28 -44.42 98.11 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.88 -43.01 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.116 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.74 -38.21 84.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -58.23 -41.64 84.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.982 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.477 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.66 -40.23 91.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.102 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.53 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.26 -43.79 63.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.383 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.5 t90 -67.83 -46.8 70.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.656 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.65 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.116 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.79 -42.24 98.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.3 m-20 -60.75 -42.73 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 5.8 tmm_? -67.38 -21.06 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.52 -47.46 83.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 110.183 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -62.39 -46.81 86.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.701 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' C' ' 45' ' ' ARG . 72.7 m-85 -113.05 120.07 40.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 55.85 40.21 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.59 -40.05 90.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.689 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -61.2 -43.86 98.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.26 100.64 8.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.78 133.11 91.87 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.546 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.11 -19.11 30.23 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.784 1.656 . . . . 0.0 112.233 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.6 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.68 -45.59 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.81 -45.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.454 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.0 93.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.2 -41.54 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.58 -43.87 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 86.7 mt -63.49 -43.58 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -44.34 98.18 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.0 -42.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 110.07 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.77 -38.22 84.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.72 84.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.1 mt -60.57 -40.22 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -44.49 99.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.515 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.3 -44.03 63.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.349 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.65 -46.85 71.23 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.54 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.7 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.78 -42.14 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.3 m-20 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 5.8 tmm_? -67.45 -21.29 65.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.34 -47.53 83.8 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.225 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -62.4 -46.7 87.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 72.3 m-85 -113.12 120.29 40.78 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.492 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -92.52 6.76 46.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.423 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -83.93 -2.09 55.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.912 0.387 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.405 ' O ' ' OD2' ' D' ' 24' ' ' ASP . 78.0 p -65.63 -33.27 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.683 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 m -148.53 130.27 15.08 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.18 0.514 . . . . 0.0 110.209 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -49.42 151.59 2.66 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.83 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -48.68 -42.91 35.54 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.326 2.017 . . . . 0.0 112.285 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 10.2 mp -62.5 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.431 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.71 -46.36 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.517 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.18 -46.68 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.376 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.9 88.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.01 -40.73 64.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.485 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.18 -39.92 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.06 -43.18 95.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 51.4 mm -62.51 -45.8 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.28 54.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.13 -42.42 95.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.183 0.516 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.86 -41.51 91.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.445 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.459 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.352 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.9 mt -60.32 -39.96 88.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.545 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.48 -45.12 94.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.345 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -72.39 -44.86 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.29 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 81.0 t90 -64.97 -38.3 90.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.91 -44.25 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.49 -43.69 96.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.46 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.79 -39.97 93.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.13 -38.64 89.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.433 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.73 -42.61 97.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.61 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -87.27 -6.26 58.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' O ' ' B' ' 49' ' ' LYS . 96.5 m-85 -146.35 100.8 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.515 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' CZ ' ' D' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -91.98 6.74 45.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.402 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -84.05 -2.13 56.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.6 -33.7 76.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -147.97 130.1 15.47 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.09 0.471 . . . . 0.0 110.244 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -49.4 151.25 2.79 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.804 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -48.45 -42.82 34.27 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.278 1.986 . . . . 0.0 112.261 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.2 mp -62.66 -43.33 99.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.369 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.88 -46.06 92.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.121 0.486 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.47 -46.65 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.328 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.57 88.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.449 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -40.51 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.455 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.4 -39.9 95.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.81 -43.48 96.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 51.4 mm -62.43 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.919 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.36 54.57 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.03 -42.42 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.386 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.86 -41.42 91.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.382 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -58.59 -39.6 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.459 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -60.32 -40.07 89.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.53 -45.19 94.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -72.43 -44.88 61.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.375 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.5 t90 -64.75 -38.42 90.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.92 -44.33 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.49 -43.46 96.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.412 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.04 -40.05 94.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.502 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.72 -42.6 97.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -87.15 -6.35 58.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.537 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CZ ' ' O ' ' C' ' 49' ' ' LYS . 96.5 m-85 -146.29 100.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.498 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.06 6.72 45.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -83.8 -1.92 55.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.736 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -148.17 130.05 15.24 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.225 0.536 . . . . 0.0 110.302 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -49.3 151.47 2.58 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.6 -42.92 35.06 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.25 1.967 . . . . 0.0 112.332 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 10.1 mp -62.55 -43.51 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.341 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.66 -46.34 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.22 -46.74 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.77 87.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.71 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.46 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.32 -39.97 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.36 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.76 -43.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 51.3 mm -62.36 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -51.29 55.02 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.18 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.02 -42.4 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.226 0.536 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.08 -41.3 92.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.66 -39.53 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -60.25 -40.0 88.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.624 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.62 -45.09 94.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.318 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.4 -45.04 61.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 81.1 t90 -64.8 -38.39 90.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.97 -44.25 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.885 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.53 -43.43 97.16 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.46 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.9 -40.2 94.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.508 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.8 -38.85 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.48 -42.85 97.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -87.23 -6.13 58.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' O ' ' D' ' 49' ' ' LYS . 96.6 m-85 -146.38 100.47 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.663 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.514 ' O ' ' CZ ' ' B' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -91.72 6.37 46.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -83.68 -1.71 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.8 p -66.19 -33.22 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -148.35 130.46 15.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.248 0.547 . . . . 0.0 110.185 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 22' ' ' SER . 48.2 m-20 -49.79 151.04 3.37 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.719 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.15 -43.01 32.21 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.251 1.967 . . . . 0.0 112.291 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' D' ' 26' ' ' LEU . 10.1 mp -62.48 -43.48 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.7 -46.38 92.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.19 -46.58 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.305 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.78 88.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.27 -40.08 64.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.75 -39.67 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.18 -43.4 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 51.6 mm -62.41 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.917 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.65 -51.33 54.87 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.14 -42.34 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.04 -41.21 91.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.452 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.78 -39.4 80.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.337 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.47 -39.9 89.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.567 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.67 -45.21 94.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.242 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.28 -45.07 61.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.8 t90 -64.64 -38.51 91.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.87 -44.35 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.5 96.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.518 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.94 -40.16 94.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -61.97 -38.78 89.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.445 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.56 -42.82 97.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -87.04 -6.62 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.533 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 49' ' ' LYS . 96.5 m-85 -146.0 100.83 3.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' C' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.492 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.21 145.15 30.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD2' ' OG ' ' B' ' 22' ' ' SER . 35.0 p-10 -87.27 -0.24 56.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 m -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -142.45 102.98 4.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.81 152.38 59.46 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.74 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.51 -36.28 9.7 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.328 2.018 . . . . 0.0 112.067 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 10.6 mp -64.16 -40.95 97.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.97 -50.22 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.72 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.93 -41.59 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.16 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.19 98.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.628 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.99 -42.71 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG22 HD13 ' A' ' 32' ' ' ILE . 97.3 mt -65.35 -44.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 91.2 mt -63.57 -43.92 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -45.25 96.98 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.46 -42.9 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.138 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.1 -38.55 83.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.002 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.32 -41.33 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.7 -39.77 89.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.283 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.57 -43.28 60.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.243 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.8 t90 -67.69 -47.17 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.8 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.061 0.458 . . . . 0.0 110.215 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.84 -43.2 99.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.76 -39.49 94.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 48' ' ' PHE . 32.5 mmt180 -63.74 -39.18 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.66 -44.39 96.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.57 -41.41 69.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 45' ' ' ARG . 85.9 m-85 -124.91 135.08 52.52 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.63 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -82.13 144.54 30.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 34.6 p-10 -87.0 -0.51 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.432 ' OG ' ' OD2' ' A' ' 21' ' ' ASP . 50.1 m -59.74 -42.41 93.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.5 m -142.1 103.8 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.051 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.61 152.34 57.09 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -44.29 -36.7 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.415 2.077 . . . . 0.0 112.152 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.6 mp -63.97 -40.99 97.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.01 -50.16 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 23.4 m -67.94 -41.79 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.42 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.643 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.77 -42.81 97.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.424 HD13 HG22 ' B' ' 32' ' ' ILE . 97.6 mt -65.3 -44.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.447 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -63.61 -43.85 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.3 96.88 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -42.84 97.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -38.76 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.98 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.487 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.3 t60 -58.33 -41.37 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.3 mt -60.6 -39.87 89.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.71 -44.55 98.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.386 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 50.7 mt -73.51 -43.24 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.303 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.9 t90 -67.68 -47.24 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.352 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -63.69 -36.76 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.214 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.82 -43.21 99.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.681 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.4 94.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' B' ' 48' ' ' PHE . 32.6 mmt180 -63.72 -39.19 93.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.75 -44.31 96.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.65 -41.42 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.713 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 86.4 m-85 -124.74 135.2 52.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.671 179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -81.9 144.6 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 33.7 p-10 -86.82 -0.56 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.434 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -59.88 -42.01 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.708 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 70.0 m -142.44 103.2 4.21 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.072 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 152.36 58.67 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.678 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.44 -36.54 9.79 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.327 2.018 . . . . 0.0 112.173 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 10.6 mp -63.93 -40.94 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.439 HG21 ' H3 ' ' A' ' 100' ' ' A2Y . 77.4 t -60.99 -50.08 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 23.1 m -68.12 -41.52 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.669 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.99 93.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.38 98.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.91 -42.9 97.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.656 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.17 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -63.51 -43.96 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.406 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.33 96.8 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.54 -42.88 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.411 . . . . 0.0 110.035 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -38.59 83.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.036 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.466 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.41 -41.26 84.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.238 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.487 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.6 -39.98 90.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.61 -44.56 98.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.374 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.58 -43.34 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.189 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.8 t90 -67.52 -47.26 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 17.2 tt -63.84 -36.73 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 110.168 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.8 -43.14 99.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.742 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.5 94.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' PHE . 32.4 mmt180 -63.75 -39.12 93.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.92 -44.24 96.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.7 -41.22 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ARG . 86.6 m-85 -125.02 135.08 52.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.616 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.528 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -81.95 144.49 30.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 34.2 p-10 -86.77 -0.52 56.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.457 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.403 ' OG ' ' OD2' ' C' ' 21' ' ' ASP . 51.1 m -59.81 -42.33 93.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 69.1 m -142.2 103.35 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.24 152.37 58.15 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.33 -36.71 9.63 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.271 1.981 . . . . 0.0 112.089 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.6 mp -63.82 -41.2 97.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.7 -50.09 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 110.8 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -68.01 -41.73 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.585 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.508 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.89 -42.83 97.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.402 HD13 HG22 ' D' ' 32' ' ' ILE . 97.4 mt -65.18 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.4 mt -63.67 -43.78 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.29 96.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.48 -42.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.905 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.3 t60 -58.23 -41.37 83.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.5 -39.94 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.56 -44.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.354 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.68 -43.2 60.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.297 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -67.45 -47.31 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -63.75 -36.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.09 0.472 . . . . 0.0 110.265 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.74 -43.18 99.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.741 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.87 -39.42 94.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' D' ' 48' ' ' PHE . 32.6 mmt180 -63.79 -39.05 93.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.78 -44.48 96.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' D' ' 45' ' ' ARG . 86.0 m-85 -124.87 135.21 52.68 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.547 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mttp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.616 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.439 ' H3 ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.79 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.545 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 40.0 p-10 -69.27 -2.94 11.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.722 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.5 t -61.69 -43.66 98.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.553 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -148.9 124.3 10.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.07 150.14 89.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.13 -21.59 48.52 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.292 1.995 . . . . 0.0 112.183 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.65 -43.26 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.6 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.9 -44.19 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 0.0 110.534 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.673 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.8 98.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.437 ' ND2' ' CD1' ' D' ' 26' ' ' LEU . 43.9 t30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.392 . . . . 0.0 110.652 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -42.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.36 -43.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.89 -45.16 94.85 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.96 -43.05 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.48 -38.17 86.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.047 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.476 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.38 -41.67 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.917 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.6 mt -61.64 -39.49 91.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.114 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.87 -44.61 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.553 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -74.15 -46.23 43.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.381 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 66.0 t90 -63.68 -46.7 84.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.511 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.31 -37.81 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.134 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.15 -42.73 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 64.7 t0 -60.73 -43.97 97.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.29 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 24.7 mmt85 -66.92 -24.83 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.04 -45.44 94.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.185 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 85.3 m-85 -68.9 -72.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.58 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 95.8 m-85 -156.42 159.44 38.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.656 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.596 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 39.8 p-10 -69.35 -2.99 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -61.52 -43.66 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.0 m -148.93 124.34 10.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.117 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.11 150.2 89.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.342 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.26 -21.44 47.94 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.412 2.074 . . . . 0.0 112.164 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.83 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.529 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.98 -44.17 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.98 -43.71 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.19 84.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.577 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.91 98.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -64.39 -42.57 96.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.666 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.409 HD12 HG21 ' B' ' 32' ' ' ILE . 97.1 mt -64.6 -42.82 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.443 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.41 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.576 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.02 -45.18 94.6 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.0 -42.91 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.489 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -58.53 -41.67 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.845 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.476 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.54 -39.44 91.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.44 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.56 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.05 -46.52 42.72 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.9 t90 -63.44 -46.7 85.09 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.673 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.25 -37.83 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.085 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.24 -42.78 99.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.579 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 64.7 t0 -60.7 -43.92 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 110.269 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 24.8 mmt85 -66.76 -25.04 66.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.584 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.23 -45.31 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.086 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 85.3 m-85 -68.72 -72.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.605 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 95.5 m-85 -156.39 159.52 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.566 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.76 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -69.35 -3.09 12.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 40.2 t -61.32 -43.82 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -148.92 124.31 10.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.11 150.14 89.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.337 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.16 -21.49 48.49 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.451 2.101 . . . . 0.0 112.21 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.88 -43.02 99.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.537 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.02 -44.33 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.396 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.85 -43.82 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.18 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -64.53 -42.56 95.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.412 HD12 HG21 ' C' ' 32' ' ' ILE . 97.1 mt -64.84 -42.7 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.369 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.9 mm -62.33 -43.9 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.614 -179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -45.28 94.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.94 -42.91 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.979 0.419 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.65 -37.99 86.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.484 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -41.63 86.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.941 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.489 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -61.52 -39.52 91.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.1 -44.45 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.496 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 tp -74.19 -46.42 42.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.312 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 66.3 t90 -63.58 -46.62 85.02 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.18 -37.85 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.089 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.23 -42.64 99.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.441 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 64.8 t0 -60.78 -43.84 97.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 0.0 110.274 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 24.7 mmt85 -66.93 -24.9 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.16 -45.4 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 85.2 m-85 -68.89 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.543 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.454 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 95.8 m-85 -156.39 159.48 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.596 179.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.64 -38.24 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.53 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 40.2 p-10 -69.14 -3.12 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -61.43 -43.8 98.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -148.77 124.32 10.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.178 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.02 150.11 90.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -67.23 -21.54 48.0 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.362 2.041 . . . . 0.0 112.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.437 ' CD1' ' ND2' ' A' ' 31' ' ' ASN . 56.5 tp -62.85 -43.08 99.74 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.541 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.87 -44.37 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.96 -43.69 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.446 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.14 84.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.76 97.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.34 -42.64 96.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.71 -42.85 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.9 mm -62.36 -43.84 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.583 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.06 -45.07 94.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.13 -42.84 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.47 -38.21 86.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.025 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.486 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -58.6 -41.64 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.484 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -61.55 -39.44 91.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.03 -44.42 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.48 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -74.27 -46.42 41.47 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 66.3 t90 -63.45 -46.72 84.96 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.554 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 tt -65.22 -37.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.095 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.463 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.0 t0 -60.8 -43.92 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 24.8 mmt85 -66.85 -24.9 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.618 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.32 -45.23 95.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.863 0.363 . . . . 0.0 110.173 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 85.4 m-85 -68.82 -72.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.645 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 95.4 m-85 -156.4 159.54 38.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.653 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.11 -41.12 99.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.01 -42.33 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -60.99 -43.19 99.2 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -78.7 86.85 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.237 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.45 151.11 82.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.179 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -67.79 -18.73 47.48 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.49 2.127 . . . . 0.0 112.124 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -49.83 74.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 110.524 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.93 -43.9 89.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.44 -43.95 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.51 74.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.6 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.92 -44.46 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.532 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.529 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.3 mt -61.9 -42.67 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.13 -44.41 83.7 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.72 -43.14 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.59 -42.61 99.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.522 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.5 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.2 t60 -61.13 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.4 mt -60.19 -39.16 85.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.74 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.72 -45.23 99.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.247 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.494 ' C ' HH22 ' B' ' 45' ' ' ARG . 85.3 mt -67.55 -43.46 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.477 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.9 t90 -68.59 -37.76 80.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.323 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.96 -46.1 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.32 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.385 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -50.18 -45.32 53.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.492 HH22 ' C ' ' D' ' 40' ' ' LEU . 41.0 ttm180 -63.11 -37.42 87.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.0 -43.78 94.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.14 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.29 -46.2 91.3 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.551 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.6 m-85 -133.05 136.28 45.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.391 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.718 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.96 -41.24 99.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.632 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -63.06 -42.48 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.545 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -60.82 -43.17 98.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 37.6 t -78.76 86.91 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.173 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.46 151.19 82.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.153 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -67.9 -18.67 46.83 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.468 2.112 . . . . 0.0 112.07 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -49.77 74.92 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.777 0.322 . . . . 0.0 110.523 -179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.01 -43.97 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.423 . . . . 0.0 110.434 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.37 -44.13 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.65 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.48 92.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.786 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.69 -42.72 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.521 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.9 mt -62.07 -42.69 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.56 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.36 83.37 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 mm -66.79 -42.98 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.63 -42.68 99.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.53 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.496 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.1 t60 -61.05 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.529 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.4 mt -60.11 -39.19 85.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.795 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.67 -45.22 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.26 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.5 -43.77 80.09 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.5 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.8 t90 -68.43 -37.66 80.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.04 -45.99 94.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -38.38 90.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.293 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -50.15 -45.32 53.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.883 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.494 HH22 ' C ' ' A' ' 40' ' ' LEU . 41.1 ttm180 -63.06 -37.42 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.0 -43.92 94.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.083 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -61.23 -46.28 91.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.6 m-85 -132.96 136.27 45.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.425 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.719 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.06 -41.23 99.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -63.04 -42.47 99.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -60.87 -43.3 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 37.3 t -78.84 86.9 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.142 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.43 151.17 83.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.172 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -67.82 -18.72 47.33 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.505 2.137 . . . . 0.0 112.103 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -49.83 74.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.874 0.369 . . . . 0.0 110.664 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.9 t -66.81 -44.07 89.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.409 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.4 -44.01 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -49.53 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.479 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.68 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.84 -44.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.508 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 89.8 mt -62.03 -42.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.33 -44.3 84.66 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.76 -43.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.762 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.75 -42.69 99.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.491 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -60.89 -43.23 98.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.521 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.4 mt -60.29 -39.28 86.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -45.12 99.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.519 ' C ' HH22 ' D' ' 45' ' ' ARG . 85.9 mt -67.46 -43.64 80.56 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.335 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.496 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.72 80.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.89 -46.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.25 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -50.16 -45.2 53.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.906 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' C' ' 48' ' ' PHE . 41.1 ttm180 -63.19 -37.4 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.94 -43.86 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.13 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -61.29 -46.09 91.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.6 m-85 -133.16 136.38 45.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.297 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 pttm . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.779 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.97 -41.32 99.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.98 -42.49 99.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.519 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.695 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -78.79 86.94 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.207 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.55 151.27 82.8 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.1 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -67.87 -18.7 47.02 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.487 2.124 . . . . 0.0 112.057 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -49.89 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.596 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -43.89 88.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.018 0.437 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.43 -44.06 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.514 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.57 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.6 95.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.62 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.413 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.0 mt -61.92 -42.65 95.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.41 84.15 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.68 -43.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.704 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.73 -42.77 99.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.43 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.489 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.2 t60 -60.95 -43.2 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.785 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.4 mt -60.24 -39.0 85.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.86 -45.25 99.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.274 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.492 ' C ' HH22 ' A' ' 45' ' ' ARG . 85.4 mt -67.44 -43.68 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.491 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.67 80.12 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.325 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.95 -46.18 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.362 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -50.18 -45.2 53.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.87 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.519 HH22 ' C ' ' C' ' 40' ' ' LEU . 41.1 ttm180 -63.19 -37.61 87.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.701 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.79 -43.88 94.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.174 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -61.31 -46.14 91.52 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.5 m-85 -132.97 136.12 45.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.983 0.42 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.792 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' O ' ' OG ' ' A' ' 22' ' ' SER . 5.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.56 -40.26 96.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.46 -33.94 77.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 19' ' ' SER . 53.5 p -58.15 -33.89 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -75.89 -136.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -102.64 104.28 37.57 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.174 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.12 -38.78 60.99 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.818 1.678 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 10.4 mp -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.33 -49.49 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.938 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.0 m -68.43 -42.06 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.78 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.579 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.74 98.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.77 -43.44 93.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 32' ' ' ILE . 97.4 mt -65.22 -44.12 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -64.52 -43.71 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.31 95.65 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.93 -42.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.132 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.82 -38.05 84.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.699 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -58.53 -42.1 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.041 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.5 mt -61.17 -39.83 91.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.403 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -44.75 59.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.266 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.0 t90 -66.14 -45.78 79.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 17.0 tt -64.32 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.048 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 42.5 mt -64.64 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.438 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' B' ' 45' ' ' ARG . 91.6 m-20 -61.32 -36.72 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' D' ' 44' ' ' ASP . 17.2 mmm180 -60.66 -37.63 82.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.404 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.67 -41.1 98.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.538 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 48.1 m-85 -92.34 -3.12 55.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.587 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 97.0 m-85 -155.16 83.55 1.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.481 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.433 ' O ' ' OG ' ' B' ' 22' ' ' SER . 5.7 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.64 -40.14 96.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.43 -33.89 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 19' ' ' SER . 53.4 p -58.27 -33.72 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -76.0 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.52 104.39 37.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.359 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -51.13 -38.77 61.04 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.814 1.676 . . . . 0.0 112.368 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.5 mp -63.48 -42.1 98.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.38 -49.41 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.767 0.318 . . . . 0.0 110.949 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 m -68.29 -42.2 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.922 0.392 . . . . 0.0 110.581 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.72 92.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.83 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -64.77 -43.5 93.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.722 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 32' ' ' ILE . 97.5 mt -65.1 -44.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.453 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.48 -43.74 96.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -45.1 95.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -64.1 -42.64 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.426 . . . . 0.0 110.037 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.75 -37.95 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.845 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.479 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -58.6 -42.24 87.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.944 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.5 mt -61.13 -39.82 91.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.4 -44.31 99.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.456 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.18 -44.93 59.11 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.107 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -65.99 -45.74 80.5 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 17.2 tt -64.43 -41.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.919 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 42.6 mt -64.67 -38.44 91.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.41 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.443 ' CG ' ' NH2' ' C' ' 45' ' ' ARG . 91.9 m-20 -61.36 -36.74 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.529 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 44' ' ' ASP . 17.3 mmm180 -60.5 -37.75 82.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.468 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -40.98 98.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 48.3 m-85 -92.29 -3.16 55.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.551 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 97.0 m-85 -155.09 83.54 1.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.375 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.521 179.738 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.442 ' O ' ' OG ' ' C' ' 22' ' ' SER . 5.9 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.58 -40.23 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.446 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.64 -33.63 76.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.609 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' C' ' 19' ' ' SER . 53.3 p -58.3 -33.93 70.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.486 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.9 t -75.81 -136.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.53 104.26 36.97 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.258 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.06 -38.86 60.53 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.849 1.7 . . . . 0.0 112.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -63.27 -42.25 99.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.236 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.25 -49.4 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.963 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.35 -42.15 84.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.961 0.41 . . . . 0.0 110.529 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.95 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.75 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -64.79 -43.53 92.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.405 HD11 HG22 ' C' ' 32' ' ' ILE . 97.4 mt -64.95 -44.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.513 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.3 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.34 95.71 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.92 -42.72 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.131 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.93 -37.91 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.803 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -42.15 87.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.96 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.479 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.16 -39.79 91.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.109 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.31 -44.36 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.463 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -44.99 59.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.182 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 69.8 t90 -65.97 -45.75 80.57 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 17.0 tt -64.33 -41.21 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.015 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 42.6 mt -64.66 -38.43 90.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' D' ' 45' ' ' ARG . 91.8 m-20 -61.22 -36.81 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NH2' ' CG ' ' B' ' 44' ' ' ASP . 17.1 mmm180 -60.61 -37.48 81.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.534 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.75 -41.19 99.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 48.3 m-85 -92.19 -3.16 55.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 96.9 m-85 -155.1 83.51 1.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.427 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.504 179.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' D' ' 22' ' ' SER . 5.9 m . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.51 -40.2 96.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.58 -33.7 76.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' D' ' 19' ' ' SER . 53.3 p -58.27 -33.91 69.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.483 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -75.86 -136.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 104.43 38.39 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.07 -38.96 60.87 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.841 1.694 . . . . 0.0 112.318 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' D' ' 26' ' ' LEU . 10.4 mp -63.34 -41.99 98.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.38 -49.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 111.074 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -68.37 -42.03 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.89 92.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.494 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.74 98.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.69 -43.5 93.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.4 HG22 HD11 ' D' ' 32' ' ' ILE . 97.5 mt -65.08 -44.19 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.483 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.1 mt -64.64 -43.55 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.34 95.59 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.95 -42.78 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.87 -37.88 83.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.695 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.463 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -58.69 -42.12 87.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.949 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -61.14 -39.93 91.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.415 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -44.89 59.85 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.1 t90 -66.08 -45.81 79.94 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 17.1 tt -64.3 -41.19 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.931 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.6 mt -64.59 -38.55 91.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.447 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 45' ' ' ARG . 92.5 m-20 -61.23 -36.63 80.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.667 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' C' ' 44' ' ' ASP . 17.3 mmm180 -60.72 -37.52 81.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.76 -41.05 99.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.4 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 48.3 m-85 -92.2 -3.28 55.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 96.9 m-85 -155.06 83.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CD1' ' C' ' 48' ' ' PHE . 53.6 mtmt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.482 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 22' ' ' SER . 33.0 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 47.2 p30 -66.61 -24.75 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 94.6 m-20 -84.14 -2.76 57.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 19' ' ' SER . 78.8 p -62.21 -27.71 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.69 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.3 p -151.46 125.18 9.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.62 153.97 81.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.436 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.56 -18.11 58.58 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.667 2.245 . . . . 0.0 111.946 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.38 -39.95 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.493 HG11 ' H3 ' ' A' ' 100' ' ' A2Y . 89.4 t -60.77 -45.62 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.782 0.325 . . . . 0.0 110.48 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.25 -45.06 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.6 97.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.89 -42.2 97.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.09 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.82 -44.02 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -47.86 82.64 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.6 -42.68 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.211 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.47 -40.27 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.112 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.476 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.4 t60 -57.78 -40.99 81.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.082 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.38 -39.55 87.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.978 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.61 -44.7 99.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.338 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.3 -44.32 59.31 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.278 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.39 -47.14 74.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.363 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.0 tt -64.56 -33.84 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.47 -43.95 97.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.267 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -64.27 -40.9 96.91 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.58 -22.29 61.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.28 -43.13 99.53 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.433 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -93.94 -0.99 55.3 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.584 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -147.56 84.1 1.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.218 -0.594 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.404 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' B' ' 22' ' ' SER . 32.8 t . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 47.1 p30 -66.58 -24.93 66.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 94.3 m-20 -83.87 -2.76 57.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 19' ' ' SER . 79.1 p -62.18 -27.83 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.8 p -151.46 125.17 9.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -63.58 154.03 81.16 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.441 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.54 -18.11 58.65 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.687 2.258 . . . . 0.0 111.9 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.52 -39.87 94.92 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.93 -45.37 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.428 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.44 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.747 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.8 97.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.73 -42.23 97.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.407 HD12 HG23 ' B' ' 32' ' ' ILE . 97.6 mt -64.77 -43.05 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.87 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.58 84.47 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.73 -42.66 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.888 0.375 . . . . 0.0 110.12 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.54 -40.16 90.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.132 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.05 81.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.121 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.476 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.39 -39.53 87.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.56 -44.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.281 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.26 -44.33 59.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.269 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.5 t90 -66.4 -47.14 74.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.467 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 tt -64.51 -33.75 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.859 0.361 . . . . 0.0 110.256 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.32 -44.13 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -64.09 -40.81 97.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.678 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.71 -22.37 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.38 -42.99 99.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.396 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -93.96 -1.1 55.12 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -147.34 84.02 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.386 179.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' C' ' 22' ' ' SER . 32.6 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 46.9 p30 -66.74 -24.8 66.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.668 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 94.5 m-20 -83.92 -2.89 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' C' ' 19' ' ' SER . 78.6 p -62.11 -27.89 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 70.2 p -151.32 125.21 9.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.7 154.11 81.45 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.325 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.6 -18.05 58.26 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.61 2.207 . . . . 0.0 112.025 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.39 -40.01 95.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.84 -45.54 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.12 -45.32 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.9 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.88 97.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.78 -42.16 97.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.402 HD12 HG23 ' C' ' 32' ' ' ILE . 97.5 mt -64.85 -43.12 96.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.8 mm -62.68 -44.06 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.56 84.91 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.65 -42.71 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.206 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.6 -40.01 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.108 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.473 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -57.83 -41.08 81.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.165 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.4 -39.6 87.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.49 -44.71 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.316 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.192 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.35 -47.16 74.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.463 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 tt -64.44 -33.82 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.853 0.359 . . . . 0.0 110.214 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.26 -44.12 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -71.58 -22.36 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.434 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -93.96 -1.13 55.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.37 83.92 1.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.514 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' D' ' 22' ' ' SER . 33.2 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 47.0 p30 -66.75 -24.83 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 94.2 m-20 -84.0 -2.81 57.32 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.624 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' D' ' 19' ' ' SER . 78.4 p -62.23 -27.71 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 68.8 p -151.47 125.22 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.2 OUTLIER -63.68 154.01 81.67 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.433 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.57 -18.04 58.39 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.708 2.272 . . . . 0.0 111.965 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.53 -39.97 95.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.449 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.94 -45.32 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.3 -45.28 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.82 95.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.66 97.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.758 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.76 -42.09 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.647 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.83 -43.12 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.8 mm -62.92 -43.91 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.68 83.49 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.57 -42.78 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.957 0.408 . . . . 0.0 110.189 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.52 -39.95 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.468 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.1 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.096 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.473 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.62 -39.36 87.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.6 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.309 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.28 -44.43 59.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.318 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -66.36 -47.04 74.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.496 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 tt -64.55 -33.85 65.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.188 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.27 -44.09 97.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.26 -40.88 96.91 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.69 -22.18 61.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.35 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.403 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -94.03 -1.09 55.0 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.563 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -147.38 83.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.407 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.493 ' H3 ' HG11 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 23' ' ' SER . 65.9 t30 57.65 40.44 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -72.44 -20.16 61.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -63.57 -34.01 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 19.9 m -150.98 135.35 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.1 148.99 48.41 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.64 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.25 -40.33 21.81 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 121.826 1.684 . . . . 0.0 112.37 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.15 -41.83 89.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.81 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.137 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.55 -42.23 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.256 0.551 . . . . 0.0 110.438 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.33 97.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.671 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.32 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.624 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.61 -42.86 95.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.26 -44.43 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.375 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 89.6 mt -63.96 -44.12 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.28 94.16 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.58 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.44 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.2 t60 -57.72 -41.95 82.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.5 mm -60.62 -45.88 96.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.697 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.97 -46.34 44.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 68.0 t90 -62.13 -48.09 81.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.278 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 15.6 tt -65.79 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.227 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 50.5 tp -63.07 -42.31 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.776 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.72 -44.72 90.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.549 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' PHE . 43.0 ttm180 -68.42 -20.22 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.694 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.61 -49.83 73.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.242 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.62 -45.49 86.68 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.946 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ARG . 64.8 m-85 -109.82 121.53 45.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.424 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' B' ' 23' ' ' SER . 65.7 t30 57.58 40.49 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.669 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.62 -20.11 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -63.54 -33.94 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' B' ' 20' ' ' ASN . 20.2 m -151.2 135.32 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.17 149.01 49.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -46.1 -40.39 21.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.913 1.742 . . . . 0.0 112.413 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -41.87 89.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.989 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.81 -50.24 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.184 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.62 -42.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.123 0.487 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.07 96.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.79 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.36 99.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.533 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.6 -42.93 95.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -44.4 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.7 mt -64.13 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.36 -46.42 93.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.51 -43.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.176 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.27 -38.05 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.497 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.1 t60 -57.71 -41.78 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.9 mt -60.7 -40.07 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -60.66 -45.91 96.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.727 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.93 -46.19 45.83 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 68.0 t90 -62.14 -48.22 81.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.248 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.74 -40.43 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.243 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.01 -42.33 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.76 -44.65 90.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.506 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 48' ' ' PHE . 43.0 ttm180 -68.47 -20.29 64.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.52 -50.0 73.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.899 0.38 . . . . 0.0 110.197 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.63 -45.36 87.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' B' ' 45' ' ' ARG . 64.7 m-85 -109.9 121.54 45.46 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.433 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' C' ' 23' ' ' SER . 65.9 t30 57.63 40.42 26.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -72.49 -20.07 61.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -63.66 -33.98 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' C' ' 20' ' ' ASN . 20.1 m -151.01 135.47 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.26 148.92 50.48 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -46.05 -40.51 20.85 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.93 1.753 . . . . 0.0 112.321 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.15 -41.85 89.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.95 -50.07 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.086 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 p -69.72 -42.21 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.141 0.496 . . . . 0.0 110.329 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.33 97.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.715 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.38 99.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.52 -42.9 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -44.38 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -64.09 -44.01 97.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.31 -46.56 93.65 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.52 -43.03 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.27 -38.1 82.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.04 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.1 t60 -57.89 -41.68 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.497 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.67 -40.22 91.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mm -60.78 -45.8 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.687 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.83 -46.18 46.63 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.181 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 67.7 t90 -62.26 -48.18 81.06 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.218 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 15.6 tt -65.65 -40.64 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.137 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 50.2 tp -62.98 -42.43 99.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.58 -44.66 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.615 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' C' ' 48' ' ' PHE . 43.0 ttm180 -68.62 -20.18 64.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.49 -50.07 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.272 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.52 -45.37 87.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' C' ' 45' ' ' ARG . 64.8 m-85 -109.83 121.54 45.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.556 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' D' ' 23' ' ' SER . 65.7 t30 57.66 40.43 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -72.62 -20.07 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -63.62 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' D' ' 20' ' ' ASN . 20.2 m -151.08 135.18 16.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.77 149.1 44.26 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.712 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -46.33 -40.4 22.25 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.908 1.739 . . . . 0.0 112.352 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.17 -41.85 89.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.101 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.66 -42.1 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.128 0.49 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.683 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -64.63 -42.85 95.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.29 -44.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.7 mt -64.06 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.38 -46.41 93.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.42 -43.23 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.32 -38.05 82.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.2 t60 -57.93 -41.65 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.63 -40.16 90.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.055 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.7 mm -60.67 -45.83 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.713 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.97 -46.29 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 67.7 t90 -62.17 -48.23 80.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 15.6 tt -65.67 -40.46 87.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.175 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 50.5 tp -63.0 -42.44 99.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.7 -44.68 90.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.496 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 43.0 ttm180 -68.63 -20.18 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.628 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.6 -49.81 73.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.18 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.85 -45.13 87.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.911 0.386 . . . . 0.0 110.963 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 65.3 m-85 -109.94 121.43 45.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.38 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -136.06 106.76 6.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.441 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.9 p-10 -88.75 -0.47 57.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -61.59 -43.97 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -134.79 113.5 11.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.116 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 154.58 94.2 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.531 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -48.39 -37.79 33.36 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.699 1.599 . . . . 0.0 111.958 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 4.1 mm? -64.08 -40.75 96.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.67 -50.41 79.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.566 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.81 -43.46 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 0.0 110.138 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -46.26 87.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.673 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.23 96.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.45 -43.68 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.32 -44.19 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.446 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 95.2 mt -64.81 -43.7 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -45.29 93.24 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.78 -42.73 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.021 0.439 . . . . 0.0 110.053 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.76 83.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.0 t60 -58.57 -41.59 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.87 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -61.11 -39.39 89.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.93 -49.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.33 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.15 -44.16 72.86 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.2 t90 -65.88 -36.65 84.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 111.022 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.61 -42.82 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.15 -40.03 92.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 93.6 m-20 -64.19 -30.85 71.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 61.0 ttt85 -58.14 -38.2 76.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.199 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -41.9 97.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.421 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 44.2 m-85 -87.61 -2.13 58.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.542 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' PHE . 87.6 m-85 -156.9 70.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -136.11 106.8 6.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -88.85 -0.37 57.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.442 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.78 -43.69 98.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -134.89 113.43 11.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 154.64 94.13 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -48.28 -37.78 32.51 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.813 1.675 . . . . 0.0 112.015 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' B' ' 26' ' ' LEU . 4.1 mm? -64.13 -40.79 96.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.422 ' CG2' ' S ' ' A' ' 100' ' ' A2Y . 57.3 t -62.78 -50.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.423 -178.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.79 -43.45 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.241 0.543 . . . . 0.0 110.2 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.71 -46.21 87.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -40.14 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.56 -43.7 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.402 HD11 HG22 ' B' ' 32' ' ' ILE . 97.7 mt -64.28 -44.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.338 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.1 mt -64.81 -43.81 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.3 93.42 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.65 -42.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.074 0.464 . . . . 0.0 110.031 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.96 -37.69 83.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.999 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -58.5 -41.7 85.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.812 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.434 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.06 -39.45 89.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.88 -49.8 79.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.314 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.08 -44.33 72.75 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.4 t90 -65.77 -36.7 84.3 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.668 0.27 . . . . 0.0 110.931 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.76 -42.69 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.18 -40.04 92.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 93.2 m-20 -64.29 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 61.0 ttt85 -58.03 -38.2 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.26 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.99 -41.92 97.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.484 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 44.1 m-85 -87.58 -2.15 58.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.484 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' B' ' 47' ' ' PHE . 86.8 m-85 -156.89 70.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.445 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.492 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -136.04 106.78 6.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -88.79 -0.36 57.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.512 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.61 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 32.5 t -134.9 113.43 11.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.88 154.63 94.16 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -48.27 -37.87 32.63 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.837 1.691 . . . . 0.0 111.958 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' C' ' 26' ' ' LEU . 4.0 mm? -64.18 -40.78 96.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.54 -50.6 79.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.784 0.326 . . . . 0.0 111.406 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.57 -43.58 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.33 87.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.585 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.21 96.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.52 -43.62 93.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.3 -44.24 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.397 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 95.6 mt -64.88 -43.76 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.45 -45.41 93.3 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.72 -42.77 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.063 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.74 83.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.452 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.0 t60 -58.4 -41.56 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.906 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -61.29 -39.39 90.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.87 -49.85 79.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.221 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.1 -44.19 72.96 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.1 t90 -65.93 -36.64 83.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.695 0.283 . . . . 0.0 110.9 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.8 mt -61.73 -42.7 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.18 -40.15 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.286 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 94.5 m-20 -64.16 -30.89 71.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 61.0 ttt85 -58.06 -38.14 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.98 -41.95 97.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.482 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 44.0 m-85 -87.65 -2.02 58.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' C' ' 47' ' ' PHE . 87.2 m-85 -156.93 70.9 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.435 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.59 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.06 106.79 6.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 36.6 p-10 -88.89 -0.36 57.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.403 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.77 -43.7 98.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.654 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -134.97 113.4 11.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.039 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.88 154.62 94.17 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.37 -37.87 33.35 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.839 1.693 . . . . 0.0 111.811 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.469 ' N ' ' CD2' ' D' ' 26' ' ' LEU . 4.0 mm? -64.02 -40.85 97.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t -62.65 -50.44 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.48 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.73 -43.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.394 0.616 . . . . 0.0 110.28 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.75 -46.21 87.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.596 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.48 -43.76 93.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.18 -44.31 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.1 mt -64.8 -43.76 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.34 93.41 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.9 -42.7 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.91 -37.78 83.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.978 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.452 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.946 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.445 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.9 mt -61.17 -39.39 89.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.83 -49.89 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.327 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.18 -44.05 72.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.2 t90 -65.92 -36.66 83.99 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 110.955 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.7 -42.52 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.36 -40.13 93.14 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.222 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 93.4 m-20 -64.08 -31.04 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 61.0 ttt85 -58.08 -37.99 75.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.31 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.14 -41.92 97.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.478 ' O ' ' CD2' ' D' ' 48' ' ' PHE . 44.7 m-85 -87.53 -2.23 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.374 . . . . 0.0 110.458 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' D' ' 47' ' ' PHE . 87.6 m-85 -156.84 70.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.676 179.863 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.422 ' S ' ' CG2' ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.463 ' HG ' HD22 ' B' ' 20' ' ' ASN . 13.9 p . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.94 -40.06 95.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.482 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' SER . 80.7 p -62.11 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' SER . 24.5 p 38.64 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.537 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -46.25 144.56 3.09 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.632 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.95 -24.39 39.66 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.245 1.964 . . . . 0.0 112.072 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.23 -44.34 95.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 74.0 t -65.43 -47.1 88.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.496 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 89.9 t -62.78 -45.63 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.25 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.15 82.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.577 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' H15' ' A' ' 100' ' ' A2Y . . . -54.15 -50.94 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.251 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 27' ' ' VAL . 3.8 p-10 -65.69 -39.95 91.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.741 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.484 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.94 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -45.25 89.19 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.2 -42.99 97.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.96 -40.94 95.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.47 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -58.47 -40.87 83.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.14 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.62 -39.18 87.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.25 -44.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.942 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.1 mm? -73.53 -44.06 58.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.49 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.2 t90 -67.41 -45.34 76.43 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.87 -38.83 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.396 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -43.68 98.31 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.106 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' PHE . 77.9 ttt180 -62.22 -42.55 99.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.09 -48.22 82.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.967 0.413 . . . . 0.0 110.354 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.8 -46.41 88.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.373 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.1 m-85 -130.51 138.9 50.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.311 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.478 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' B' ' 22' ' ' SER . 13.6 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.463 HD22 ' HG ' ' A' ' 19' ' ' SER . 98.8 m-20 -63.9 -39.92 95.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -42.62 98.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.416 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 23' ' ' SER . 80.2 p -62.19 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 22' ' ' SER . 24.5 p 38.52 93.66 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.582 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -46.25 144.51 3.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.746 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.91 -24.27 40.06 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.185 1.923 . . . . 0.0 112.077 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.42 -44.21 95.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.46 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 74.2 t -65.57 -46.95 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.543 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 86.8 t -62.69 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.6 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.02 65.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 27' ' ' VAL . 3.8 p-10 -65.64 -40.04 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.711 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.51 -42.92 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.492 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.03 -44.12 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.33 88.3 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.17 -42.91 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.08 -40.94 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -58.43 -40.92 83.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.47 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -60.57 -39.3 87.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.11 -44.22 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.937 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -73.46 -44.05 58.92 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.502 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.0 t90 -67.35 -45.37 76.56 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -61.88 -38.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.325 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -43.71 98.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.134 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.53 -41.22 97.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 48' ' ' PHE . 77.8 ttt180 -62.22 -42.46 99.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.676 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.23 -48.1 83.01 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.279 -178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.88 -46.36 88.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.423 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.4 m-85 -130.55 138.9 50.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.504 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.46 ' HG ' ' ND2' ' D' ' 20' ' ' ASN . 13.6 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.88 -40.0 95.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.23 -42.55 98.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.442 ' O ' ' O ' ' C' ' 23' ' ' SER . 80.6 p -62.06 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.442 ' O ' ' O ' ' C' ' 22' ' ' SER . 24.4 p 38.65 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -46.26 144.56 3.1 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.757 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.91 -24.3 39.98 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.299 2.0 . . . . 0.0 112.167 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.29 -44.29 95.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.449 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 72.5 t -65.56 -46.89 88.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 89.5 t -62.96 -45.58 98.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.18 82.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.618 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.88 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.269 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' C' ' 27' ' ' VAL . 3.8 p-10 -65.58 -40.18 92.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.5 -42.79 97.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.93 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.49 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.15 -45.12 89.14 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.12 -42.99 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.423 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 tp -60.93 -40.96 95.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.49 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.21 -41.29 83.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.105 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.9 mt -60.42 -39.15 86.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -44.25 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.871 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' C' ' 40' ' ' LEU . 4.1 mm? -73.58 -43.93 58.53 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.494 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.46 -45.32 76.3 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.85 -38.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.411 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -43.74 98.19 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.035 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.53 -41.25 97.06 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' C' ' 48' ' ' PHE . 77.7 ttt180 -62.08 -42.63 99.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.08 -48.28 82.43 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.287 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.78 -46.37 88.35 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.441 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.1 m-85 -130.41 138.91 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.295 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.827 -1.082 . . . . 0.0 110.597 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.431 ' O ' ' OG ' ' D' ' 22' ' ' SER . 13.0 p . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.46 ' ND2' ' HG ' ' C' ' 19' ' ' SER . 98.8 m-20 -63.84 -40.11 95.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.56 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.13 -42.61 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.507 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.437 ' O ' ' O ' ' D' ' 23' ' ' SER . 80.3 p -62.09 -43.35 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.437 ' O ' ' O ' ' D' ' 22' ' ' SER . 24.6 p 38.55 93.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -46.39 144.66 3.16 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.807 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.05 -24.26 39.18 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.198 1.932 . . . . 0.0 112.056 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.49 -44.21 95.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 70.9 t -65.35 -47.22 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 89.2 t -62.67 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.246 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.1 82.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.72 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.344 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' D' ' 27' ' ' VAL . 3.8 p-10 -65.75 -40.14 91.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.41 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.08 -45.16 89.13 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.18 -42.86 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.07 -41.02 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.446 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -58.4 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.49 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.68 -39.29 87.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.861 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.0 mm? -73.61 -43.97 58.27 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.48 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.1 t90 -67.45 -45.21 76.65 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.02 -38.83 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.442 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -43.68 98.33 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.49 -41.2 96.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' D' ' 48' ' ' PHE . 77.9 ttt180 -62.17 -42.51 99.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.688 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.29 -48.13 82.82 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.321 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.7 -46.46 88.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.1 m-85 -130.45 138.94 50.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.231 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.539 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . 0.441 ' H15' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 46.4 p-10 -113.27 -33.43 5.97 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 68.1 t0 -63.96 -43.16 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -62.31 -43.43 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -151.57 131.75 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -49.16 149.24 3.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.592 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.35 -15.37 34.86 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.571 2.181 . . . . 0.0 112.313 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.62 -42.35 92.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.94 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -62.72 -39.05 83.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 110.449 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.25 -44.83 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.44 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.03 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 93.2 m-20 -63.66 -42.66 98.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 32' ' ' ILE . 97.3 mt -65.18 -43.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.7 mt -62.17 -43.5 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.891 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.25 99.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.72 -37.33 83.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.974 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -42.57 87.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.922 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -60.61 -39.82 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.34 -49.42 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.849 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 10.2 mp -70.8 -43.38 68.78 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.479 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.23 -48.22 71.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.47 -39.74 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -41.37 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.647 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 65.7 t0 -58.34 -47.93 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 90.6 mtt180 -76.39 -21.41 56.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.27 -46.09 90.35 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -87.4 -41.98 13.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -101.14 146.64 27.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.594 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.493 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 46.4 p-10 -113.14 -33.49 5.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 67.6 t0 -63.82 -43.31 96.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -62.12 -43.52 98.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -151.55 131.82 13.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.919 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.18 149.25 3.7 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.43 -15.38 34.59 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.647 2.231 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.71 -42.34 92.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.732 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -62.76 -39.14 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.42 . . . . 0.0 110.446 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.12 -44.95 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.393 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.36 84.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.12 93.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.72 -42.52 97.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.411 HG22 HD11 ' B' ' 32' ' ' ILE . 97.3 mt -65.15 -43.19 95.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.5 mt -62.12 -43.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.45 99.78 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -43.23 97.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.117 0.484 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.7 -37.4 84.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.018 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.7 t60 -58.32 -42.21 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.75 -40.08 91.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.1 mt -59.17 -49.61 82.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.699 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 10.1 mp -70.52 -43.59 69.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.569 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.2 t90 -66.21 -48.17 71.48 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.636 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 14.1 tt -65.47 -39.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.42 . . . . 0.0 109.981 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -41.3 97.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.46 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 65.6 t0 -58.18 -48.25 80.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 90.8 mtt180 -76.35 -21.17 56.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.38 -46.04 90.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.839 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -87.44 -41.9 13.21 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -101.17 146.66 27.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.488 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 46.3 p-10 -113.2 -33.36 6.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 68.1 t0 -64.02 -43.24 96.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.606 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -62.14 -43.62 98.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -151.43 131.91 13.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.758 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.29 149.35 3.82 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.569 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.54 -15.29 34.15 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.639 2.226 . . . . 0.0 112.211 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.66 -42.23 92.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.791 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -62.99 -38.83 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.857 0.361 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.34 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.324 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.6 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.476 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.95 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.406 HD11 HG22 ' C' ' 32' ' ' ILE . 97.4 mt -65.1 -43.12 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.09 -43.56 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.24 99.72 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.88 -43.18 97.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.28 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.69 -37.28 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.067 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.498 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.43 -42.41 87.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.895 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.5 mt -60.73 -39.87 90.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -59.18 -49.6 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.675 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' C' ' 40' ' ' LEU . 10.2 mp -70.85 -43.43 68.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.46 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.552 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 14.1 tt -65.37 -39.59 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 110.073 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 6.0 tt -62.17 -41.17 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 65.9 t0 -58.38 -48.1 81.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.134 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.46 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 90.8 mtt180 -76.27 -21.22 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.295 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.38 -46.06 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.49 -41.91 13.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -101.22 146.62 27.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.562 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 46.5 p-10 -113.15 -33.5 5.98 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 67.6 t0 -63.92 -43.18 96.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.665 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -62.17 -43.56 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -151.47 131.96 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.936 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.46 149.26 4.14 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.38 -15.36 34.75 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.738 2.292 . . . . 0.0 112.231 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.8 -42.36 93.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.764 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.87 -38.84 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.892 0.377 . . . . 0.0 110.515 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.3 -44.93 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.55 84.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.431 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -61.49 -39.83 92.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.78 -42.64 97.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.729 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.18 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.416 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.2 mt -62.16 -43.44 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -42.37 99.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.82 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 110.196 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -37.51 84.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.081 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.417 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -58.52 -42.09 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.89 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.498 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.14 -49.56 82.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.755 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' D' ' 40' ' ' LEU . 10.2 mp -70.73 -43.38 69.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.513 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.3 t90 -66.22 -48.21 71.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 14.1 tt -65.51 -39.62 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.058 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -41.32 98.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.539 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.6 t0 -58.15 -48.26 80.82 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.077 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 90.7 mtt180 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.28 -46.11 90.25 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.786 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -87.49 -41.75 13.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.152 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.28 146.61 27.32 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.545 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.803 0.335 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.44 -45.18 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.515 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.02 95.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.43 82.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.854 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -63.97 -41.91 97.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.484 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.34 -42.92 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.07 -43.74 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.24 -42.5 99.31 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.26 -43.41 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.511 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -38.97 90.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.038 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.6 t60 -58.72 -41.18 85.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -61.56 -38.06 86.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.96 -45.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.784 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -71.19 -44.88 64.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.805 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.1 t90 -66.33 -38.7 88.26 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.6 0.238 . . . . 0.0 110.874 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.6 -42.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.22 -42.51 91.15 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.23 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 45.3 t0 -62.35 -38.98 91.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.178 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 20.5 mmm180 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.759 0.314 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.49 -45.14 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.3 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.5 81.61 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.833 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.98 -41.86 97.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.394 . . . . 0.0 110.563 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.32 -42.94 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.26 -43.61 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.473 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.47 99.13 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.21 -43.38 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.17 -38.86 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.5 t60 -58.74 -41.18 85.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.95 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.0 mt -61.63 -38.06 86.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.98 -45.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.92 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.25 -44.82 64.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.805 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.1 t90 -66.29 -38.77 88.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 110.873 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.59 -42.27 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.02 -42.5 90.31 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.358 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.445 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 45.3 t0 -62.42 -39.0 91.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 0.0 110.161 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.31 -45.11 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.13 95.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.69 81.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.795 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.589 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.3 -42.97 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -62.14 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.481 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.2 -42.41 99.38 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.39 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.21 -38.79 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.039 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.5 t60 -58.69 -41.22 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.072 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.61 -38.11 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.81 -45.84 94.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.06 -44.87 64.88 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.461 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.0 t90 -66.42 -38.62 87.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.549 0.214 . . . . 0.0 110.844 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.53 -42.38 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.96 -42.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.299 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.34 -38.93 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.032 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.38 -45.29 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.04 95.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.59 81.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.9 -41.91 97.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.349 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -42.97 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -62.06 -43.79 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.46 99.31 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.4 -43.33 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -39.0 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.097 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.6 t60 -58.66 -41.22 85.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.995 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.0 mt -61.44 -38.15 86.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -45.66 94.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.822 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.2 -44.83 64.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.477 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.0 t90 -66.4 -38.73 88.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.603 0.24 . . . . 0.0 110.872 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -42.21 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.27 -42.41 91.14 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.236 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.479 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 45.7 t0 -62.45 -39.0 91.94 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.11 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.03 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.724 0.297 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 27.5 m -69.03 -42.59 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.532 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.85 -40.55 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -64.85 -42.39 94.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.05 -44.12 95.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.449 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.1 mt -64.14 -43.67 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -44.8 97.26 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.01 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 0.0 110.125 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.02 -38.47 86.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.887 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.22 -41.96 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.825 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.98 -39.86 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -44.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.518 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.56 -43.51 59.69 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.137 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.3 t90 -66.98 -45.86 76.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.575 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.4 tt -64.99 -44.11 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.416 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' HG23 ' A' ' 42' ' ' ILE . 83.0 mt -65.49 -41.99 92.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.454 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.724 0.297 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 29' ' ' ALA . 27.7 m -69.22 -42.38 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.47 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.0 -40.42 97.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.578 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.78 -42.52 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.628 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.01 -44.02 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.18 -43.88 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.88 97.21 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.83 -42.85 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.06 0.457 . . . . 0.0 110.173 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.11 -38.45 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.999 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.95 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.909 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.68 -40.06 90.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.059 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.512 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.37 -43.75 60.0 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.171 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -66.88 -45.87 76.72 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.576 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.495 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.02 -44.04 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.413 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.47 -42.0 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.01 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.58 -42.64 99.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.476 HG23 ' N ' ' C' ' 29' ' ' ALA . 27.5 m -69.0 -42.48 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.476 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.77 -40.61 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.92 -42.49 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.97 -44.01 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -64.25 -43.58 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -44.71 97.33 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.01 -42.81 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.944 0.402 . . . . 0.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.95 -38.55 86.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.917 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.19 -41.92 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.923 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.87 -39.9 90.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.144 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.13 -44.5 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.591 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.53 -43.5 59.84 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.428 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -67.03 -45.82 76.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.593 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.483 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.421 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.447 ' N ' HG23 ' C' ' 42' ' ' ILE . 83.0 mt -65.4 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.6 -42.62 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.661 0.267 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.481 HG23 ' N ' ' D' ' 29' ' ' ALA . 27.6 m -69.2 -42.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.481 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.79 -40.52 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.613 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.499 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.89 -42.52 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.87 -44.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 89.9 mt -64.19 -43.67 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.66 97.41 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.02 -42.81 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.95 -38.63 86.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.919 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.28 -41.86 85.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.872 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.78 -39.94 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.24 -44.44 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.506 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.5 -43.7 59.52 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.087 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.3 t90 -66.82 -45.94 76.72 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.563 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.92 -44.02 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.462 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.5 mt -65.6 -41.81 92.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.954 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.73 -42.73 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.467 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.755 0.312 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.3 -44.31 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.375 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.61 78.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.092 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -40.88 70.64 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.453 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -68.85 -46.66 67.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' ILE . 20.1 tt -65.26 -42.39 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' N ' HG23 ' A' ' 32' ' ' ILE . 81.6 mt -64.07 -43.84 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -45.52 95.03 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.51 -42.86 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.329 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.22 -40.97 95.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.579 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -58.12 -40.52 81.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.136 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.9 mt -59.88 -41.38 91.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.15 -47.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.168 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -66.22 -42.74 88.28 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.21 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.481 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.5 t90 -65.53 -40.92 93.46 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.64 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.82 -43.99 98.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.033 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.66 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.307 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.47 -40.68 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.804 179.591 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.29 -44.27 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.66 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.144 0.497 . . . . 0.0 110.224 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.02 70.68 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.434 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -68.82 -46.53 68.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.251 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.493 HG23 ' N ' ' B' ' 33' ' ' ILE . 20.1 tt -65.41 -42.31 93.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.692 -179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.493 ' N ' HG23 ' B' ' 32' ' ' ILE . 83.1 mt -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.531 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.28 -45.63 94.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.41 -43.02 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.021 0.439 . . . . 0.0 110.367 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.05 -40.95 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.11 -40.5 81.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.101 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.579 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.0 mt -60.03 -41.28 91.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.35 -47.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.108 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.9 mm? -66.3 -42.84 87.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.162 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.486 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.37 -40.93 94.16 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.038 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.563 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.77 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.368 -179.574 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.5 -40.85 79.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.274 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.586 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.37 -44.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.356 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.64 78.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.14 0.495 . . . . 0.0 110.262 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.99 70.91 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.88 -46.55 68.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.27 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.49 HG23 ' N ' ' C' ' 33' ' ' ILE . 20.1 tt -65.3 -42.38 93.68 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.669 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.49 ' N ' HG23 ' C' ' 32' ' ' ILE . 82.0 mt -64.07 -43.69 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.66 94.68 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.46 -43.0 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.247 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.04 -41.09 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -57.92 -40.78 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.003 0.43 . . . . 0.0 110.117 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.0 mt -59.87 -41.21 91.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.605 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.29 -47.92 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.157 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.488 HD22 ' N ' ' C' ' 40' ' ' LEU . 3.9 mm? -66.13 -42.72 88.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.287 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.473 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.6 t90 -65.57 -40.82 93.22 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.774 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.72 -44.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.567 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.75 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.323 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.41 -40.73 78.95 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.307 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.678 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.37 -44.32 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.74 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 0.0 110.233 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.19 -40.97 70.87 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.522 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -68.72 -46.66 68.35 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.485 HG23 ' N ' ' D' ' 33' ' ' ILE . 20.1 tt -65.28 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.724 0.297 . . . . 0.0 110.726 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.485 ' N ' HG23 ' D' ' 32' ' ' ILE . 82.7 mt -63.98 -43.83 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.54 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.35 -45.39 95.15 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.67 -42.89 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.98 -41.05 95.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.049 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.04 -40.65 81.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.9 mt -59.88 -41.28 91.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.523 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.36 -47.9 88.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.978 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.488 ' N ' HD22 ' D' ' 40' ' ' LEU . 3.9 mm? -66.22 -42.85 88.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.168 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.485 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.6 t90 -65.42 -40.92 93.93 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.715 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.75 -44.0 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.997 0.427 . . . . 0.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.568 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -63.64 -38.82 92.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.46 -40.75 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.569 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.967 0.413 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.26 -44.63 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.04 84.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.279 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB2' ' OD1' ' B' ' 31' ' ' ASN . . . -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.216 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' D' ' 30' ' ' ALA . 32.4 t30 -65.83 -42.15 90.94 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.341 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.45 -43.91 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.459 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.35 82.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.453 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.18 -44.6 93.68 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.411 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.26 -38.94 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.753 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.4 t60 -58.63 -41.23 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.44 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.8 mt -61.02 -38.85 87.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.09 -44.7 98.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.833 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.82 -43.55 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.535 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.507 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 89.4 t90 -68.51 -40.15 80.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.741 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.53 -43.33 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.5 -40.08 95.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.734 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.91 -43.82 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.459 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.19 -44.38 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' C' ' 31' ' ' ASN . . . -63.85 -35.47 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.238 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.423 ' OD1' ' HB2' ' A' ' 30' ' ' ALA . 32.8 t30 -65.92 -41.96 90.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.365 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.64 -43.76 93.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.45 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.417 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.65 94.08 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.16 -39.11 88.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.116 0.484 . . . . 0.0 109.788 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -58.56 -41.17 85.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.543 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.453 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.8 mt -61.11 -38.56 86.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.364 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 -44.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.921 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.9 -43.46 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.648 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.522 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 89.5 t90 -68.43 -40.21 81.27 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.44 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.96 -43.63 94.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.003 0.43 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.2 -44.56 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.593 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.83 83.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.549 ' HB2' ' OD1' ' D' ' 31' ' ' ASN . . . -63.87 -35.63 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.253 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ASN . . . . . 0.484 ' OD1' ' HB2' ' B' ' 30' ' ' ALA . 33.1 t30 -65.89 -42.1 90.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.225 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.51 -43.89 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.495 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.34 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.439 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -44.5 93.8 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.33 -43.31 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.329 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.27 -38.96 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.825 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.509 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.2 t60 -58.62 -41.24 85.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.472 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.8 mt -60.9 -38.79 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.296 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.27 -44.45 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.962 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.04 -43.43 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.602 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.5 t90 -68.5 -40.15 80.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.51 -43.36 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.48 -40.22 95.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.671 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.82 -43.72 94.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.399 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.501 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.5 mtt-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.34 -44.54 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.526 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.96 84.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.264 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . . . -63.9 -35.49 80.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.192 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB2' ' C' ' 30' ' ' ALA . 31.8 t30 -66.03 -41.9 90.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.119 -0.633 . . . . 0.0 110.407 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.55 -43.87 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.49 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.416 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.68 94.13 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.19 -43.32 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.25 -38.99 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.506 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -58.71 -41.1 85.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.472 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.482 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.8 mt -61.05 -38.65 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.332 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.96 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.84 -43.5 79.37 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.4 t90 -68.41 -40.31 81.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.31 -43.52 97.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.45 -40.08 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.742 0.306 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.32 -46.49 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.03 77.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.789 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -64.25 -41.92 96.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.57 -43.99 96.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 83.6 mt -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -42.96 99.79 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.77 -43.13 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.52 -38.98 89.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -58.51 -41.39 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.183 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.21 -38.47 86.73 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.671 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.02 -45.37 95.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.928 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.69 -44.4 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.59 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -65.67 -39.27 91.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.9 -45.31 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.19 -39.5 92.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.904 0.383 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 85.8 m-20 -60.61 -45.13 95.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 59.2 ttm-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.612 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.707 0.289 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.23 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.503 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.73 88.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.751 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.02 -42.14 97.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.33 -44.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.577 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.2 mt -62.93 -43.76 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.08 -42.87 99.93 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.88 -43.03 97.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.438 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.64 -38.76 88.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.46 -41.46 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.231 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.4 mt -61.27 -38.4 86.59 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.9 -45.72 94.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.889 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -71.38 -44.41 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.578 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.462 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.74 -39.25 90.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.97 -45.34 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 110.456 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.14 -39.58 93.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.528 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 87.5 m-20 -60.58 -45.05 95.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.435 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 59.1 ttm-85 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.29 -46.56 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.57 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.74 88.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.12 77.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.99 -42.12 97.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.39 -44.07 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 83.1 mt -63.04 -43.67 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.83 99.91 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.79 -43.14 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.402 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.69 -38.88 89.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.633 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -58.47 -41.37 85.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.239 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.13 -38.53 86.71 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.98 -45.5 95.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.911 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.57 -44.47 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.59 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.469 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -65.53 -39.3 91.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.603 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.81 -45.53 96.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.03 -39.45 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.0 110.647 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 m-20 -60.86 -45.2 95.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 59.0 ttm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.344 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.39 -46.5 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.19 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -64.06 -42.02 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.597 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -43.95 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 83.6 mt -63.03 -43.79 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.97 99.98 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.81 -43.19 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.59 -38.69 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.353 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.52 -41.42 85.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.233 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.633 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.4 mt -61.1 -38.62 86.96 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.611 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.02 -45.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -71.54 -44.38 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.546 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.459 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.8 t90 -65.67 -39.26 91.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.599 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.95 -45.36 97.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.356 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.28 -39.54 92.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.629 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 88.1 m-20 -60.54 -45.06 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.541 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 59.1 ttm-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.649 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.708 0.29 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.84 -45.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.8 89.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.848 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.68 -41.97 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.405 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -43.06 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.4 mm -61.85 -43.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.82 -42.64 99.77 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.38 -43.46 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.28 -38.14 88.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -58.68 -41.74 86.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.02 -40.23 92.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.05 -44.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.638 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.64 -43.85 58.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.197 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 68.1 t90 -66.34 -47.39 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.357 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.5 tt -65.06 -39.8 86.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.27 -41.03 98.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.74 -43.69 94.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.467 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.837 0.351 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.82 -45.8 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.81 94.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.29 -45.67 90.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.64 -42.04 98.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.1 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.4 mm -61.95 -43.69 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.73 99.8 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.27 -43.46 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.365 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.18 -38.31 88.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.51 -41.8 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.93 -40.28 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.06 -44.56 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.63 -43.86 58.48 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.52 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 67.6 t90 -66.24 -47.35 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.431 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.5 tt -65.08 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.125 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.17 -41.09 97.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.95 -43.48 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.393 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.52 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.77 -45.95 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.67 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.775 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.05 98.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.383 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.12 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.492 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -61.8 -43.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.533 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.74 99.8 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.34 -43.47 97.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.17 -38.25 88.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.19 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.68 -41.63 86.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.022 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.01 -40.35 93.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -44.55 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.544 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -43.81 58.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.227 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 67.7 t90 -66.35 -47.39 73.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.41 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.4 tt -64.91 -39.84 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.116 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.744 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.74 -43.66 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.518 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.927 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.739 0.304 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.87 -45.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.94 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.77 90.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.01 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -43.02 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -61.92 -43.72 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.515 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.66 -42.85 99.82 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.13 -43.5 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.19 -38.23 88.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.58 -41.74 86.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -61.1 -40.19 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.93 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.557 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.59 -43.83 58.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.528 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 67.7 t90 -66.4 -47.28 73.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.373 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.23 -39.46 85.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.47 -41.06 98.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -43.58 94.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.35 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.884 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.809 0.338 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.59 -48.3 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.531 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.76 84.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.514 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.45 -43.12 95.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.439 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.93 -43.39 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 96.8 mt -62.76 -42.69 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.391 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -47.84 64.79 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -65.37 -42.49 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.39 -42.29 98.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.57 -44.32 97.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.709 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -59.87 -40.07 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.644 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.21 -43.78 98.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.35 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.53 -41.93 65.3 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -68.82 -47.66 65.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.361 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.3 tt -65.05 -40.67 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 54.2 tp -62.95 -40.44 97.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.447 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.67 -33.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.608 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.313 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.786 0.327 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.56 -48.22 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.19 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.49 76.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.995 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.22 95.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.16 -43.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.405 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.9 mt -62.57 -42.74 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.27 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.46 -42.52 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.43 -42.1 98.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.759 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -59.85 -40.14 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.3 -43.69 98.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.388 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.4 -42.04 65.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.9 t90 -68.99 -47.61 65.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.284 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.2 tt -64.95 -40.9 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.937 0.399 . . . . 0.0 110.322 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 53.9 tp -62.78 -40.62 97.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.44 -33.88 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.472 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.789 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -48.19 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.87 84.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.94 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.28 -43.21 95.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.68 -43.47 98.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 96.8 mt -62.71 -42.68 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.9 -47.7 64.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.59 -42.49 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.55 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.48 -42.07 98.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -61.53 -44.42 97.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.839 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 0.9 OUTLIER -59.69 -40.15 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -178.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.21 -43.75 98.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.417 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.65 -41.95 64.91 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -68.85 -47.62 65.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.515 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.3 tt -65.01 -40.84 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 53.7 tp -62.84 -40.49 97.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.54 -33.93 74.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.472 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.286 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.805 0.336 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.75 -48.18 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.22 86.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.69 76.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.001 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.11 95.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mm -64.11 -43.18 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.589 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.8 mt -62.76 -42.74 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.25 61.55 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -65.25 -42.42 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.647 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.57 -42.16 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.682 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 0.9 OUTLIER -59.79 -40.06 87.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.23 -43.84 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.291 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.35 -41.92 65.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.2 t90 -68.93 -47.73 65.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.276 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.2 tt -64.96 -40.8 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.267 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 54.0 tp -62.91 -40.48 97.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.405 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.58 -33.9 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.436 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.805 0.336 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.37 -44.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.14 95.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.53 -36.64 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.58 -38.63 91.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.95 -41.74 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.243 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.573 HG23 HD11 ' B' ' 38' ' ' LEU . 1.8 mp -61.37 -43.42 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.548 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.21 -55.95 26.79 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.283 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.8 mp -69.77 -43.79 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.576 0.227 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.2 -45.55 94.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.785 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.55 -40.58 92.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.646 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.2 mt -60.73 -39.58 89.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.41 -44.52 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.969 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.2 mm? -71.63 -43.06 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.22 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -69.3 -45.89 68.5 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.59 -43.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.253 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' N ' HG23 ' A' ' 42' ' ' ILE . 82.2 mt -65.4 -42.14 92.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.2 t0 -53.75 -34.92 60.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.704 0.288 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.53 -44.83 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.35 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.71 73.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.47 -38.67 92.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.1 -41.91 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.272 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' C' ' 38' ' ' LEU . 1.9 mp -61.31 -43.23 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.39 -55.87 27.37 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.258 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.567 HD12 ' N ' ' B' ' 35' ' ' ILE . 1.8 mp -69.97 -43.67 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 120.666 0.269 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.22 -45.69 93.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.706 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.75 91.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.043 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.3 mt -60.7 -39.59 89.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.237 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.17 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -71.59 -43.12 66.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.199 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -69.4 -45.73 68.56 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.64 -43.55 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.318 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.465 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.52 -42.09 92.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.0 t0 -53.95 -34.79 60.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.581 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.731 0.3 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.3 -44.87 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.18 95.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.64 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.449 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -38.76 92.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.14 -41.69 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.327 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.574 HG23 HD11 ' D' ' 38' ' ' LEU . 1.9 mp -61.4 -43.35 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.481 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.29 -55.91 27.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.229 -0.986 . . . . 0.0 111.324 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.558 ' N ' HD12 ' C' ' 35' ' ' ILE . 1.8 mp -69.96 -43.78 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.98 -45.78 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.798 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.7 91.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.092 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.3 mt -60.75 -39.45 88.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.65 99.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.093 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.463 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.2 mm? -71.58 -43.12 66.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.168 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -69.35 -45.78 68.59 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.65 -43.51 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.262 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' C' ' 42' ' ' ILE . 82.3 mt -65.47 -42.24 92.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.774 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.1 t0 -53.77 -34.96 60.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.314 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.766 0.317 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.38 -45.03 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.13 96.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.761 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.48 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.54 -38.73 92.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.97 -42.04 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' A' ' 38' ' ' LEU . 1.9 mp -61.18 -43.37 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.542 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.46 -55.77 27.94 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.266 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ILE . . . . . 0.548 HD12 ' N ' ' D' ' 35' ' ' ILE . 1.8 mp -69.98 -43.74 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.03 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.805 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.646 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.57 -40.56 92.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.09 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.2 mt -60.72 -39.69 89.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.046 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.64 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.035 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.449 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.2 mm? -71.45 -43.11 67.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.256 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -69.45 -45.76 68.33 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.0 tt -63.58 -43.79 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.214 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.468 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.3 mt -65.27 -42.21 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.865 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.1 t0 -53.83 -34.93 60.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.249 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.71 -45.62 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.87 96.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -61.76 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -65.12 -42.87 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.62 -44.67 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -64.57 -43.93 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.4 90.07 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.33 -42.91 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.004 0.431 . . . . 0.0 110.278 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -39.89 84.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -58.53 -40.6 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.4 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.05 -39.81 87.26 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.82 -44.03 93.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -73.48 -44.91 56.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.056 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.4 t90 -64.65 -39.38 93.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -46.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.613 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.45 -37.91 88.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.892 0.377 . . . . 0.0 110.62 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 95.2 m-20 -58.5 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.509 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.506 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 52.4 ttm-85 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.067 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.79 0.329 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.58 -44.92 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.17 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.628 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' C' ' 31' ' ' ASN . . . -62.51 -41.98 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 ' HB2' ' A' ' 30' ' ' ALA . 24.3 t-20 -66.26 -42.85 87.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.79 -44.32 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.656 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 94.0 mt -64.8 -43.91 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.3 -47.53 89.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.23 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.09 -40.21 84.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.36 -40.55 82.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.286 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.05 -43.98 93.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.4 -45.17 56.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.04 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.458 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.1 t90 -64.32 -39.48 94.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.68 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.52 -46.63 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.16 -37.6 87.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.412 . . . . 0.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.53 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 94.9 m-20 -58.85 -43.19 90.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 52.3 ttm-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.39 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.72 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -62.24 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' B' ' 30' ' ' ALA . 23.7 t-20 -65.68 -42.71 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.77 -44.88 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 94.2 mt -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.1 -47.61 88.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.18 -42.79 97.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.995 0.426 . . . . 0.0 110.177 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.348 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -58.75 -40.75 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.312 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.22 -39.4 86.49 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.14 -43.99 94.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.506 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.0 mm? -73.43 -44.76 57.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.104 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.3 t90 -64.78 -39.15 93.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.795 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.74 -46.78 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.579 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.11 -38.04 89.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.5 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 92.4 m-20 -58.47 -43.62 89.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.449 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.53 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 52.5 ttm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.047 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.34 -45.08 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.18 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.74 99.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' C' ' 30' ' ' ALA . 23.7 t-20 -65.49 -43.01 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.47 -44.86 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.628 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 93.3 mt -64.28 -44.14 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.81 -47.88 87.45 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.18 -43.0 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.386 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.82 -39.87 82.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.482 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.6 -40.76 84.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.305 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.4 mt -60.01 -39.54 86.16 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.018 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.96 -44.08 93.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.501 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.36 -44.42 58.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.181 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.4 t90 -65.1 -39.36 93.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.64 -46.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.15 -37.79 88.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.996 0.427 . . . . 0.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.506 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 93.9 m-20 -58.64 -43.42 89.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.527 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 53.1 ttm-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.02 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.756 0.312 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.09 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.14 78.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.13 -41.59 97.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.87 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 86.6 mt -63.59 -43.47 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.38 98.14 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -42.92 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.81 -38.25 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.33 -41.46 84.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.962 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.63 -40.14 90.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.175 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.42 -44.42 99.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.464 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.36 -43.76 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.6 t90 -67.93 -46.7 70.79 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.667 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.0 tt -64.65 -38.77 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.125 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.79 -42.14 98.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.655 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.3 m-20 -60.7 -42.69 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.28 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.677 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.74 0.305 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.87 -45.28 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.08 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.614 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.03 -41.64 97.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.86 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 87.1 mt -63.46 -43.66 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.94 -42.93 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 0.0 110.111 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.82 -38.21 84.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.837 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.31 -41.66 84.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.961 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.2 mt -60.47 -40.26 90.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.16 -44.46 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.612 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.31 -43.99 63.37 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.255 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.3 t90 -67.7 -46.81 71.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.51 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.0 tt -64.7 -38.79 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.8 -42.19 98.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.58 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.448 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.4 m-20 -60.73 -42.7 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.187 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.663 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.91 -45.29 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.95 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.656 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.2 -41.66 96.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 87.0 mt -63.52 -43.64 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.28 -44.42 98.11 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.88 -43.01 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.116 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.74 -38.21 84.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.23 -41.64 84.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.982 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.66 -40.23 91.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.102 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.53 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.26 -43.79 63.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.383 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.5 t90 -67.83 -46.8 70.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.656 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.529 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.0 tt -64.65 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.116 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.79 -42.24 98.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.3 m-20 -60.75 -42.73 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.81 -45.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.454 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.0 93.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.2 -41.54 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.58 -43.87 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 86.7 mt -63.49 -43.58 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -44.34 98.18 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.0 -42.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 110.07 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.77 -38.22 84.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.72 84.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.1 mt -60.57 -40.22 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -44.49 99.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.515 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.3 -44.03 63.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.349 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.65 -46.85 71.23 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.54 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.0 tt -64.7 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.78 -42.14 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.3 m-20 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.18 -46.68 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.376 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.9 88.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.01 -40.73 64.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.485 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.18 -39.92 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.06 -43.18 95.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 51.4 mm -62.51 -45.8 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.28 54.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.13 -42.42 95.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.183 0.516 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.86 -41.51 91.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.445 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.352 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.571 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.9 mt -60.32 -39.96 88.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.545 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.48 -45.12 94.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.345 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -72.39 -44.86 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.29 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 81.0 t90 -64.97 -38.3 90.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.91 -44.25 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.49 -43.69 96.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.46 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.79 -39.97 93.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.433 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.121 0.486 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.47 -46.65 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.328 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.57 88.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.449 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -40.51 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.455 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.4 -39.9 95.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.81 -43.48 96.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 51.4 mm -62.43 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.919 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.36 54.57 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.03 -42.42 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.386 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.86 -41.42 91.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.382 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.59 -39.6 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -60.32 -40.07 89.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.53 -45.19 94.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -72.43 -44.88 61.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.375 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.5 t90 -64.75 -38.42 90.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.92 -44.33 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.49 -43.46 96.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.412 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.04 -40.05 94.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.502 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.456 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.22 -46.74 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.77 87.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.71 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.46 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.32 -39.97 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.36 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.76 -43.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 51.3 mm -62.36 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -51.29 55.02 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.18 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.02 -42.4 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.226 0.536 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.08 -41.3 92.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.66 -39.53 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -60.25 -40.0 88.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.624 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.62 -45.09 94.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.318 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.4 -45.04 61.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 81.1 t90 -64.8 -38.39 90.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.97 -44.25 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.885 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.53 -43.43 97.16 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.46 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.9 -40.2 94.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.508 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.19 -46.58 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.305 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.78 88.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.27 -40.08 64.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.75 -39.67 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.18 -43.4 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 51.6 mm -62.41 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.917 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.65 -51.33 54.87 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.14 -42.34 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.04 -41.21 91.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.571 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.78 -39.4 80.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.337 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.47 -39.9 89.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.567 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.67 -45.21 94.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.242 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.28 -45.07 61.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.8 t90 -64.64 -38.51 91.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.87 -44.35 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.5 96.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.518 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.94 -40.16 94.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.445 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 29' ' ' ALA . 23.3 m -67.93 -41.59 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.53 -39.16 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.19 98.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.628 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.99 -42.71 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.35 -44.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 91.2 mt -63.57 -43.92 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -45.25 96.98 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.46 -42.9 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.138 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.1 -38.55 83.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.002 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.32 -41.33 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.2 mt -60.7 -39.77 89.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.283 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.57 -43.28 60.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.243 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.8 t90 -67.69 -47.17 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.8 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.061 0.458 . . . . 0.0 110.215 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.84 -43.2 99.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.76 -39.49 94.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.924 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' B' ' 29' ' ' ALA . 23.4 m -67.94 -41.79 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.596 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.42 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.643 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.77 -42.81 97.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.3 -44.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.447 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -63.61 -43.85 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.3 96.88 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -42.84 97.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -38.76 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.98 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -58.33 -41.37 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.627 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.3 mt -60.6 -39.87 89.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.71 -44.55 98.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.386 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 50.7 mt -73.51 -43.24 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.303 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.9 t90 -67.68 -47.24 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.352 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.627 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -63.69 -36.76 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.214 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.82 -43.21 99.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.681 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.4 94.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 -179.814 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' C' ' 29' ' ' ALA . 23.1 m -68.12 -41.52 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.669 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.56 -38.99 93.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.38 98.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.91 -42.9 97.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.656 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.17 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -63.51 -43.96 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.406 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.33 96.8 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.54 -42.88 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.411 . . . . 0.0 110.035 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -38.59 83.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.036 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.41 -41.26 84.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.238 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.616 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.6 -39.98 90.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.61 -44.56 98.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.374 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.58 -43.34 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.189 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.8 t90 -67.52 -47.26 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.2 tt -63.84 -36.73 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 110.168 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.8 -43.14 99.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.742 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.5 94.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.966 0.412 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.417 HG23 ' N ' ' D' ' 29' ' ' ALA . 22.7 m -68.01 -41.73 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.585 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.417 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.508 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.89 -42.83 97.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.18 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.4 mt -63.67 -43.78 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.29 96.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.48 -42.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.905 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.23 -41.37 83.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.633 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.3 mt -60.5 -39.94 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.56 -44.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.354 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.68 -43.2 60.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.297 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -67.45 -47.31 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.633 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -63.75 -36.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.09 0.472 . . . . 0.0 110.265 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.74 -43.18 99.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.741 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.87 -39.42 94.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 -179.782 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.973 0.416 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.673 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.8 98.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.392 . . . . 0.0 110.652 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -42.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.36 -43.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.89 -45.16 94.85 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.96 -43.05 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.48 -38.17 86.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.047 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.38 -41.67 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.917 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.6 mt -61.64 -39.49 91.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.114 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.87 -44.61 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.553 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -74.15 -46.23 43.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.381 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 66.0 t90 -63.68 -46.7 84.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.511 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.8 tt -65.31 -37.81 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.134 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.15 -42.73 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 64.7 t0 -60.73 -43.97 97.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.29 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 24.7 mmt85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.633 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.98 -43.71 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.19 84.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.577 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.91 98.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -64.39 -42.57 96.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.666 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.6 -42.82 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.443 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.41 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.576 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.02 -45.18 94.6 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.0 -42.91 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.53 -41.67 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.845 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.54 -39.44 91.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.44 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.56 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.05 -46.52 42.72 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.9 t90 -63.44 -46.7 85.09 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.673 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.8 tt -65.25 -37.83 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.085 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.24 -42.78 99.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.579 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 64.7 t0 -60.7 -43.92 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 110.269 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 24.8 mmt85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.584 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.85 -43.82 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.18 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -64.53 -42.56 95.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.7 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.369 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.9 mm -62.33 -43.9 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.614 -179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -45.28 94.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.94 -42.91 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.979 0.419 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.65 -37.99 86.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.627 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -41.63 86.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.941 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -61.52 -39.52 91.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.1 -44.45 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.496 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 tp -74.19 -46.42 42.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.312 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 66.3 t90 -63.58 -46.62 85.02 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.8 tt -65.18 -37.85 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.089 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.23 -42.64 99.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.441 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 64.8 t0 -60.78 -43.84 97.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 0.0 110.274 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 24.7 mmt85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.362 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.96 -43.69 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.446 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.14 84.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.76 97.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.34 -42.64 96.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.71 -42.85 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.9 mm -62.36 -43.84 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.583 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.06 -45.07 94.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.13 -42.84 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.47 -38.21 86.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.025 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.6 -41.64 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.627 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -61.55 -39.44 91.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.03 -44.42 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.48 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -74.27 -46.42 41.47 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 66.3 t90 -63.45 -46.72 84.96 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.554 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.8 tt -65.22 -37.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.095 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.463 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.0 t0 -60.8 -43.92 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.441 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 24.8 mmt85 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.618 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.07 0.462 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.44 -43.95 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.51 74.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.6 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.92 -44.46 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.532 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.529 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.3 mt -61.9 -42.67 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.13 -44.41 83.7 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.72 -43.14 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.59 -42.61 99.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.522 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.13 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.4 mt -60.19 -39.16 85.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.74 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.72 -45.23 99.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.247 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' C ' HH22 ' B' ' 45' ' ' ARG . 85.3 mt -67.55 -43.46 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.477 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.9 t90 -68.59 -37.76 80.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.323 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.96 -46.1 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.32 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.385 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -50.18 -45.32 53.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.513 HH22 ' C ' ' D' ' 40' ' ' LEU . 41.0 ttm180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.987 0.423 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.37 -44.13 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.65 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.48 92.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.786 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.69 -42.72 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.521 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.9 mt -62.07 -42.69 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.56 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.36 83.37 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 mm -66.79 -42.98 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.63 -42.68 99.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.53 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -61.05 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.4 mt -60.11 -39.19 85.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.795 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.67 -45.22 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.26 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.41 ' C ' HH22 ' C' ' 45' ' ' ARG . 85.8 mt -67.5 -43.77 80.09 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.341 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.5 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.8 t90 -68.43 -37.66 80.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.04 -45.99 94.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -38.38 90.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.293 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -50.15 -45.32 53.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.883 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.514 HH22 ' C ' ' A' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.9 t . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 121.064 0.459 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.4 -44.01 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -49.53 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.479 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.68 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.84 -44.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.508 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 89.8 mt -62.03 -42.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.33 -44.3 84.66 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.76 -43.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.762 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.75 -42.69 99.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.491 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -60.89 -43.23 98.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.4 mt -60.29 -39.28 86.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -45.12 99.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.538 ' C ' HH22 ' D' ' 45' ' ' ARG . 85.9 mt -67.46 -43.64 80.56 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.335 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.496 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.72 80.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.89 -46.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.25 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -50.16 -45.2 53.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.906 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.41 HH22 ' C ' ' B' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.018 0.437 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.43 -44.06 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.514 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.57 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.6 95.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.62 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.413 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.0 mt -61.92 -42.65 95.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.41 84.15 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.68 -43.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.704 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.73 -42.77 99.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.43 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.552 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.95 -43.2 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.785 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.4 mt -60.24 -39.0 85.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.86 -45.25 99.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.274 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.513 ' C ' HH22 ' A' ' 45' ' ' ARG . 85.4 mt -67.44 -43.68 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.491 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.67 80.12 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.325 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.95 -46.18 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.362 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -50.18 -45.2 53.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.87 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.538 HH22 ' C ' ' C' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.701 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.674 0.274 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 29' ' ' ALA . 24.0 m -68.43 -42.06 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.77 -38.78 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.579 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.74 98.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -64.77 -43.44 93.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.22 -44.12 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -64.52 -43.71 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.31 95.65 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.93 -42.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.132 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.82 -38.05 84.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.699 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.53 -42.1 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.041 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.5 mt -61.17 -39.83 91.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.403 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.1 -44.75 59.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.266 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.0 t90 -66.14 -45.78 79.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -64.32 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.048 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 42.5 mt -64.64 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.438 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' B' ' 45' ' ' ARG . 91.6 m-20 -61.32 -36.72 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' D' ' 44' ' ' ASP . 17.2 mmm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.404 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.767 0.318 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 29' ' ' ALA . 24.5 m -68.29 -42.2 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.922 0.392 . . . . 0.0 110.581 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.428 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.74 -38.72 92.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.612 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.83 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -64.77 -43.5 93.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.722 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.1 -44.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 110.494 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.453 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.48 -43.74 96.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -45.1 95.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -64.1 -42.64 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.426 . . . . 0.0 110.037 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.75 -37.95 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.845 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.624 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.6 -42.24 87.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.944 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.5 mt -61.13 -39.82 91.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.4 -44.31 99.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.456 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -73.18 -44.93 59.11 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.107 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -65.99 -45.74 80.5 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -64.43 -41.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.919 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.417 ' N ' HG23 ' B' ' 42' ' ' ILE . 42.6 mt -64.67 -38.44 91.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.41 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.443 ' CG ' ' NH2' ' C' ' 45' ' ' ARG . 91.9 m-20 -61.36 -36.74 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.529 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 44' ' ' ASP . 17.3 mmm180 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.757 0.313 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' C' ' 29' ' ' ALA . 24.1 m -68.35 -42.15 84.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.961 0.41 . . . . 0.0 110.529 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.69 -38.95 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.515 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.75 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -64.79 -43.53 92.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.95 -44.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.3 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.34 95.71 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.92 -42.72 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.131 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.93 -37.91 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.803 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -42.15 87.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.96 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.624 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.16 -39.79 91.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.109 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.31 -44.36 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.463 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.532 ' O ' HD13 ' C' ' 40' ' ' LEU . 0.2 OUTLIER -73.06 -44.99 59.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.182 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 69.8 t90 -65.97 -45.75 80.57 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -64.33 -41.21 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.015 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 42.6 mt -64.66 -38.43 90.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' D' ' 45' ' ' ARG . 91.8 m-20 -61.22 -36.81 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NH2' ' CG ' ' B' ' 44' ' ' ASP . 17.1 mmm180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.534 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 29' ' ' ALA . 24.2 m -68.37 -42.03 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.432 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.83 -38.89 92.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.494 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.74 98.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -64.69 -43.5 93.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.08 -44.19 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.483 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.1 mt -64.64 -43.55 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.34 95.59 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.95 -42.78 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.87 -37.88 83.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.695 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.69 -42.12 87.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.949 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -61.14 -39.93 91.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.415 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 40' ' ' LEU . 0.2 OUTLIER -73.09 -44.89 59.85 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.1 t90 -66.08 -45.81 79.94 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -64.3 -41.19 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.931 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.413 ' N ' HG23 ' D' ' 42' ' ' ILE . 43.6 mt -64.59 -38.55 91.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.447 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 45' ' ' ARG . 92.5 m-20 -61.23 -36.63 80.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.667 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' C' ' 44' ' ' ASP . 17.3 mmm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.782 0.325 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.25 -45.06 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.6 97.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.89 -42.2 97.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.09 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.82 -44.02 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -47.86 82.64 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.6 -42.68 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.211 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.47 -40.27 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.112 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -57.78 -40.99 81.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.082 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.38 -39.55 87.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.978 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.61 -44.7 99.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.338 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.3 -44.32 59.31 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.278 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.39 -47.14 74.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.363 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.0 tt -64.56 -33.84 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.47 -43.95 97.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.267 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -64.27 -40.9 96.91 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.708 0.29 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.44 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.747 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.8 97.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.73 -42.23 97.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.77 -43.05 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.87 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.58 84.47 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.73 -42.66 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.888 0.375 . . . . 0.0 110.12 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.54 -40.16 90.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.132 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.05 81.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.121 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.39 -39.53 87.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.56 -44.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.281 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.3 mp -73.26 -44.33 59.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.269 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.5 t90 -66.4 -47.14 74.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.467 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.9 tt -64.51 -33.75 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.859 0.361 . . . . 0.0 110.256 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.32 -44.13 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -64.09 -40.81 97.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.678 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.512 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.744 0.306 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.12 -45.32 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.9 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.88 97.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.78 -42.16 97.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.12 96.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.8 mm -62.68 -44.06 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.56 84.91 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.65 -42.71 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.206 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.6 -40.01 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.108 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.597 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.83 -41.08 81.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.165 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.4 -39.6 87.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.49 -44.71 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.316 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.483 ' N ' HD12 ' C' ' 40' ' ' LEU . 11.3 mp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.192 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.35 -47.16 74.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.463 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.9 tt -64.44 -33.82 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.853 0.359 . . . . 0.0 110.214 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.26 -44.12 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.698 0.285 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.3 -45.28 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.82 95.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.66 97.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.758 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.76 -42.09 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.647 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.83 -43.12 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.8 mm -62.92 -43.91 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.68 83.49 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.57 -42.78 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.957 0.408 . . . . 0.0 110.189 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.52 -39.95 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.1 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.096 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.0 mt -60.62 -39.36 87.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.6 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.309 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.478 HD12 ' N ' ' D' ' 40' ' ' LEU . 11.3 mp -73.28 -44.43 59.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.318 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -66.36 -47.04 74.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.496 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.9 tt -64.55 -33.85 65.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.188 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.27 -44.09 97.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.26 -40.88 96.91 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.644 0.259 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 29' ' ' ALA . 14.8 p -69.55 -42.23 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.256 0.551 . . . . 0.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -61.53 -41.33 97.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.671 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.32 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.624 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -64.61 -42.86 95.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.26 -44.43 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.375 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 89.6 mt -63.96 -44.12 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.28 94.16 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.58 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.44 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -57.72 -41.95 82.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.5 mm -60.62 -45.88 96.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.697 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.97 -46.34 44.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 68.0 t90 -62.13 -48.09 81.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.278 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.6 tt -65.79 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.227 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 50.5 tp -63.07 -42.31 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.776 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.72 -44.72 90.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.549 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.694 179.768 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.501 HG13 ' N ' ' B' ' 29' ' ' ALA . 14.8 p -69.62 -42.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.123 0.487 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.501 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -61.49 -41.07 96.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.79 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.36 99.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.533 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.6 -42.93 95.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -44.4 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.7 mt -64.13 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.36 -46.42 93.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.51 -43.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.176 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.27 -38.05 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -57.71 -41.78 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.9 mt -60.7 -40.07 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -60.66 -45.91 96.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.727 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.93 -46.19 45.83 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 68.0 t90 -62.14 -48.22 81.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.248 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.573 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.7 tt -65.74 -40.43 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.243 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.01 -42.33 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.76 -44.65 90.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.506 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 179.735 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.681 0.277 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.511 HG13 ' N ' ' C' ' 29' ' ' ALA . 14.8 p -69.72 -42.21 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.141 0.496 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.511 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -61.46 -41.33 97.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.38 99.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.52 -42.9 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -44.38 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -64.09 -44.01 97.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.31 -46.56 93.65 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.52 -43.03 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.27 -38.1 82.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.04 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -57.89 -41.68 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.67 -40.22 91.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mm -60.78 -45.8 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.687 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.83 -46.18 46.63 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.181 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 67.7 t90 -62.26 -48.18 81.06 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.218 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.6 tt -65.65 -40.64 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.137 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 50.2 tp -62.98 -42.43 99.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.58 -44.66 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.615 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.793 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.507 HG13 ' N ' ' D' ' 29' ' ' ALA . 14.9 p -69.66 -42.1 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.128 0.49 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.507 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.683 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -64.63 -42.85 95.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.29 -44.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.7 mt -64.06 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.38 -46.41 93.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.42 -43.23 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.32 -38.05 82.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -57.93 -41.65 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.63 -40.16 90.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.055 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.7 mm -60.67 -45.83 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.713 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.97 -46.29 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 67.7 t90 -62.17 -48.23 80.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.578 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.67 -40.46 87.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.175 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 50.5 tp -63.0 -42.44 99.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.7 -44.68 90.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.496 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.628 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.767 0.317 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 29' ' ' ALA . 9.2 p -70.81 -43.46 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 0.0 110.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -58.61 -46.26 87.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.673 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.23 96.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.45 -43.68 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.32 -44.19 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.446 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 95.2 mt -64.81 -43.7 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -45.29 93.24 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.78 -42.73 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.021 0.439 . . . . 0.0 110.053 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.76 83.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.57 -41.59 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.87 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -61.11 -39.39 89.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.93 -49.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.33 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.15 -44.16 72.86 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.2 t90 -65.88 -36.65 84.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 111.022 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.61 -42.82 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.15 -40.03 92.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 93.6 m-20 -64.19 -30.85 71.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.199 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 29' ' ' ALA . 9.2 p -70.79 -43.45 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.241 0.543 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.528 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -58.71 -46.21 87.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -40.14 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.56 -43.7 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.28 -44.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.338 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.1 mt -64.81 -43.81 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.3 93.42 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.65 -42.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.074 0.464 . . . . 0.0 110.031 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.96 -37.69 83.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.999 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.5 -41.7 85.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.812 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.599 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.06 -39.45 89.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.88 -49.8 79.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.314 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.08 -44.33 72.75 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.4 t90 -65.77 -36.7 84.3 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.668 0.27 . . . . 0.0 110.931 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.76 -42.69 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.18 -40.04 92.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 93.2 m-20 -64.29 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.26 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.784 0.326 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' C' ' 29' ' ' ALA . 9.3 p -70.57 -43.58 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -58.53 -46.33 87.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.585 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.21 96.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.52 -43.62 93.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.3 -44.24 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.397 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 95.6 mt -64.88 -43.76 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.45 -45.41 93.3 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.72 -42.77 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.063 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.74 83.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.4 -41.56 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.906 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -61.29 -39.39 90.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.87 -49.85 79.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.221 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.1 -44.19 72.96 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.1 t90 -65.93 -36.64 83.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.695 0.283 . . . . 0.0 110.9 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.8 mt -61.73 -42.7 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.18 -40.15 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.286 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 94.5 m-20 -64.16 -30.89 71.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' D' ' 29' ' ' ALA . 9.2 p -70.73 -43.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.394 0.616 . . . . 0.0 110.28 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -58.75 -46.21 87.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.596 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.48 -43.76 93.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.18 -44.31 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.1 mt -64.8 -43.76 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.34 93.41 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.9 -42.7 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.91 -37.78 83.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.978 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.946 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.9 mt -61.17 -39.39 89.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.83 -49.89 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.327 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.18 -44.05 72.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.2 t90 -65.92 -36.66 83.99 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 110.955 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.7 -42.52 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.36 -40.13 93.14 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.222 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 93.4 m-20 -64.08 -31.04 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.31 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 74.0 t . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.745 0.307 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 89.9 t -62.78 -45.63 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.25 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.15 82.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.577 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.94 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.251 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 27' ' ' VAL . 3.8 p-10 -65.69 -39.95 91.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.741 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.484 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.94 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -45.25 89.19 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.2 -42.99 97.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.96 -40.94 95.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.57 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.47 -40.87 83.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.14 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.62 -39.18 87.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.25 -44.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.942 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.1 mm? -73.53 -44.06 58.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.49 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.2 t90 -67.41 -45.34 76.43 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.8 tt -61.87 -38.83 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.396 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -62.04 -43.68 98.31 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.106 -179.478 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.46 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 74.2 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 86.8 t -62.69 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.6 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.02 65.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 27' ' ' VAL . 3.8 p-10 -65.64 -40.04 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.711 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.51 -42.92 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.492 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.03 -44.12 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.33 88.3 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.17 -42.91 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.08 -40.94 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.43 -40.92 83.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.57 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -60.57 -39.3 87.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.11 -44.22 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.937 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.472 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -73.46 -44.05 58.92 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.502 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.0 t90 -67.35 -45.37 76.56 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -61.88 -38.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.325 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.95 -43.71 98.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.134 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.53 -41.22 97.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.676 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.449 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 72.5 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.725 0.298 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 89.5 t -62.96 -45.58 98.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.18 82.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.618 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.88 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.269 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' C' ' 27' ' ' VAL . 3.8 p-10 -65.58 -40.18 92.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.5 -42.79 97.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.93 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.49 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.15 -45.12 89.14 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.12 -42.99 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.423 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 tp -60.93 -40.96 95.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.21 -41.29 83.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.105 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.9 mt -60.42 -39.15 86.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -44.25 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.871 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.484 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.1 mm? -73.58 -43.93 58.53 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.494 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.46 -45.32 76.3 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -61.85 -38.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.411 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.543 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -43.74 98.19 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.035 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.53 -41.25 97.06 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.738 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 70.9 t . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 89.2 t -62.67 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.246 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.1 82.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.72 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.344 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 31' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' D' ' 27' ' ' VAL . 3.8 p-10 -65.75 -40.14 91.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.41 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.08 -45.16 89.13 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.18 -42.86 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.07 -41.02 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.4 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.68 -39.29 87.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.861 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.467 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.61 -43.97 58.27 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.48 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.1 t90 -67.45 -45.21 76.65 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.548 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -62.02 -38.83 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.442 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.548 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -62.0 -43.68 98.33 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.49 -41.2 96.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.688 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 27' ' ' VAL . 91.0 t -61.25 -44.83 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.44 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.03 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 93.2 m-20 -63.66 -42.66 98.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.7 mt -62.17 -43.5 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.891 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.25 99.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 39' ' ' ILE . 80.2 mt -61.72 -37.33 83.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.601 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -42.57 87.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.922 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -60.61 -39.82 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 36' ' ' LEU . 69.1 mt -59.34 -49.42 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.849 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -70.8 -43.38 68.78 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.479 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.23 -48.22 71.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 14.2 tt -65.47 -39.74 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -41.37 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.647 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 65.7 t0 -58.34 -47.93 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 90.6 mtt180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.4 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.4 ' N ' HG23 ' B' ' 27' ' ' VAL . 91.0 t -61.12 -44.95 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.36 84.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.12 93.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.72 -42.52 97.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.15 -43.19 95.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.5 mt -62.12 -43.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.45 99.78 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -43.23 97.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.117 0.484 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD23 HD12 ' B' ' 39' ' ' ILE . 80.4 mt -61.7 -37.4 84.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.018 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.32 -42.21 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.601 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.75 -40.08 91.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.464 HD12 HD23 ' B' ' 36' ' ' LEU . 69.1 mt -59.17 -49.61 82.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.699 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.538 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.1 mp -70.52 -43.59 69.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.569 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.2 t90 -66.21 -48.17 71.48 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.636 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.1 tt -65.47 -39.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.42 . . . . 0.0 109.981 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -41.3 97.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.46 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 65.6 t0 -58.18 -48.25 80.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 90.8 mtt180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.34 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.324 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.6 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.476 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.95 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.12 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.09 -43.56 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.24 99.72 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.88 -43.18 97.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.28 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.474 HD23 HD12 ' C' ' 39' ' ' ILE . 80.5 mt -61.69 -37.28 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.067 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.43 -42.41 87.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.895 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.5 mt -60.73 -39.87 90.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ILE . . . . . 0.474 HD12 HD23 ' C' ' 36' ' ' LEU . 69.3 mt -59.18 -49.6 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.675 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' C' ' 40' ' ' LEU . 10.2 mp -70.85 -43.43 68.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.46 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.552 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.528 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.1 tt -65.37 -39.59 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 110.073 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 6.0 tt -62.17 -41.17 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 65.9 t0 -58.38 -48.1 81.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.134 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.46 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 90.8 mtt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.295 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.3 -44.93 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.55 84.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.431 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -61.49 -39.83 92.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.78 -42.64 97.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.729 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.18 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.416 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.2 mt -62.16 -43.44 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -42.37 99.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.82 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 110.196 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.449 HD23 HD12 ' D' ' 39' ' ' ILE . 80.3 mt -61.66 -37.51 84.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.081 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.549 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.52 -42.09 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.89 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 39' ' ' ILE . . . . . 0.449 HD12 HD23 ' D' ' 36' ' ' LEU . 68.8 mt -59.14 -49.56 82.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.755 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.543 HD12 ' N ' ' D' ' 40' ' ' LEU . 10.2 mp -70.73 -43.38 69.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.513 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.3 t90 -66.22 -48.21 71.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.522 HG22 ' O ' ' D' ' 38' ' ' LEU . 14.1 tt -65.51 -39.62 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.058 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -41.32 98.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.539 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.6 t0 -58.15 -48.26 80.82 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.077 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 45' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 90.7 mtt180 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.77 -8.45 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.33 -42.04 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.38 -44.41 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -154.78 129.05 8.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.3 150.04 50.94 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.307 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.37 -24.29 50.22 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.307 2.004 . . . . 0.0 112.23 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.469 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.432 HG22 ' S ' ' A' ' 100' ' ' A2Y . 75.6 t -63.08 -46.41 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.561 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.44 -45.18 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.515 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.02 95.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.43 82.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.854 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -63.97 -41.91 97.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.484 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.34 -42.92 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.07 -43.74 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.24 -42.5 99.31 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.26 -43.41 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.511 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -38.97 90.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.038 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.6 t60 -58.72 -41.18 85.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -61.56 -38.06 86.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.96 -45.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.784 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -71.19 -44.88 64.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.805 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.1 t90 -66.33 -38.7 88.26 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.6 0.238 . . . . 0.0 110.874 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.6 -42.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.22 -42.51 91.15 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.23 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 45.3 t0 -62.35 -38.98 91.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.178 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 20.5 mmm180 -64.74 -28.11 69.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.56 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.22 21.68 8.64 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.14 162.29 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.528 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.454 -179.758 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.8 p30 -75.68 -8.5 56.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.3 -42.02 99.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -154.6 129.11 9.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.084 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.19 149.97 51.1 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.418 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.43 -24.14 49.99 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.336 2.024 . . . . 0.0 112.183 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.527 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.4 mp -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.501 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.22 -46.33 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.551 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.49 -45.14 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.3 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.5 81.61 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.833 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.98 -41.86 97.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.394 . . . . 0.0 110.563 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.32 -42.94 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.26 -43.61 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.473 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.47 99.13 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.21 -43.38 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.17 -38.86 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.5 t60 -58.74 -41.18 85.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.95 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.0 mt -61.63 -38.06 86.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.98 -45.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.92 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.25 -44.82 64.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.805 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.1 t90 -66.29 -38.77 88.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 110.873 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.59 -42.27 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.02 -42.5 90.31 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.358 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.445 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 45.3 t0 -62.42 -39.0 91.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 0.0 110.161 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 20.6 mmm180 -64.71 -28.07 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -42.21 99.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.34 21.72 8.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -45.19 162.38 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.441 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.69 -8.36 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.43 -44.44 97.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.73 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t -154.66 129.11 9.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.042 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.22 149.96 50.99 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.329 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.46 -24.24 49.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.419 2.08 . . . . 0.0 112.119 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.515 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.474 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.22 -46.59 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.31 -45.11 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.13 95.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.69 81.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.795 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.589 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.3 -42.97 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -62.14 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.481 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.2 -42.41 99.38 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.39 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.21 -38.79 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.039 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.5 t60 -58.69 -41.22 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.072 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.61 -38.11 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.81 -45.84 94.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.06 -44.87 64.88 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.461 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.0 t90 -66.42 -38.62 87.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.549 0.214 . . . . 0.0 110.844 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.53 -42.38 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.96 -42.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.299 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.34 -38.93 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.032 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 20.6 mmm180 -64.7 -28.21 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.001 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.74 -42.31 99.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.572 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.2 21.69 8.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.2 162.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.477 -179.805 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.67 -8.32 56.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.52 -42.01 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.43 -44.34 97.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -154.78 129.15 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.066 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -86.3 150.07 51.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.6 -24.05 48.86 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.354 2.036 . . . . 0.0 112.14 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.512 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.5 mp -63.23 -42.24 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.391 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.2 -46.4 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.38 -45.29 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.04 95.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.59 81.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.9 -41.91 97.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.349 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -42.97 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -62.06 -43.79 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.46 99.31 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.4 -43.33 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -39.0 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.097 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.6 t60 -58.66 -41.22 85.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.995 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.0 mt -61.44 -38.15 86.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -45.66 94.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.822 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.2 -44.83 64.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.477 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.0 t90 -66.4 -38.73 88.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.603 0.24 . . . . 0.0 110.872 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -42.21 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.27 -42.41 91.14 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.236 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.479 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 45.7 t0 -62.45 -39.0 91.94 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.11 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -64.64 -28.05 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.21 21.82 8.45 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.29 162.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.222 -0.39 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.432 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.432 ' S ' HG22 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.68 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.367 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.71 -19.18 64.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.0 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 t -103.26 98.02 8.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.981 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.58 151.33 87.15 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.34 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.23 -26.92 56.44 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.478 2.118 . . . . 0.0 111.965 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.96 -40.76 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.31 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.68 -48.94 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.778 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 27.5 m -69.03 -42.59 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.532 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.85 -40.55 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.85 -42.39 94.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.05 -44.12 95.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.449 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.1 mt -64.14 -43.67 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -44.8 97.26 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.01 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 0.0 110.125 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.02 -38.47 86.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.887 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.22 -41.96 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.825 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.98 -39.86 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -44.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.518 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.56 -43.51 59.69 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.137 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.3 t90 -66.98 -45.86 76.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.575 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.4 tt -64.99 -44.11 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.416 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' HG23 ' A' ' 42' ' ' ILE . 83.0 mt -65.49 -41.99 92.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.454 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' PHE . 8.0 tpt180 -70.37 -20.04 62.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.8 tt -62.31 -43.43 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.958 0.408 . . . . 0.0 110.106 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -61.36 -44.97 96.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.1 m-85 -131.77 134.17 45.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.684 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.7 -40.27 96.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.48 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.82 -19.12 64.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -62.03 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 43.8 t -103.17 97.96 7.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.53 151.34 87.25 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.366 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.4 -26.83 55.24 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.396 2.064 . . . . 0.0 111.839 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' C' ' 31' ' ' ASN . 87.6 mt -67.97 -40.77 83.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.288 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -48.88 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.806 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 29' ' ' ALA . 27.7 m -69.22 -42.38 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.47 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.0 -40.42 97.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.578 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.78 -42.52 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.628 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.01 -44.02 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.18 -43.88 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.88 97.21 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.83 -42.85 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.06 0.457 . . . . 0.0 110.173 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.11 -38.45 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.999 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.95 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.909 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.68 -40.06 90.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.059 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.512 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.37 -43.75 60.0 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.171 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -66.88 -45.87 76.72 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.576 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.495 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.02 -44.04 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.413 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.47 -42.0 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.01 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.58 -42.64 99.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 48' ' ' PHE . 8.0 tpt180 -70.51 -19.83 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.624 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.8 tt -62.35 -43.43 98.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 110.036 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -61.31 -45.2 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.1 m-85 -131.68 134.34 45.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.449 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.685 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.49 -40.36 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.81 -19.13 64.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.03 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 44.0 t -103.08 97.95 7.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.071 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.6 151.44 87.14 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.277 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.36 -26.93 55.45 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.413 2.076 . . . . 0.0 111.821 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.468 ' HB3' HD21 ' D' ' 31' ' ' ASN . 87.6 mt -67.94 -40.82 83.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.742 HG13 ' H3 ' ' A' ' 100' ' ' A2Y . 78.8 t -61.53 -49.11 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.476 HG23 ' N ' ' C' ' 29' ' ' ALA . 27.5 m -69.0 -42.48 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.476 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.77 -40.61 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.523 HD21 ' HB3' ' B' ' 26' ' ' LEU . 97.1 m-20 -64.92 -42.49 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.97 -44.01 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -64.25 -43.58 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -44.71 97.33 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.01 -42.81 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.944 0.402 . . . . 0.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.95 -38.55 86.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.917 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.19 -41.92 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.923 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.87 -39.9 90.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.144 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.13 -44.5 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.591 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.53 -43.5 59.84 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.428 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -67.03 -45.82 76.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.593 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.483 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.421 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.447 ' N ' HG23 ' C' ' 42' ' ' ILE . 83.0 mt -65.4 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.6 -42.62 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' C' ' 48' ' ' PHE . 8.0 tpt180 -70.43 -19.94 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.612 ' O ' HD23 ' C' ' 46' ' ' LEU . 1.8 tt -62.29 -43.49 98.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.038 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -61.25 -45.11 95.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.45 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.1 m-85 -131.82 134.22 45.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.644 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -63.6 -40.34 96.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.502 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.77 -19.15 64.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.501 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.16 -43.19 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.73 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.7 t -103.22 98.01 8.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.995 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.52 151.4 87.28 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.382 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.42 -26.79 55.11 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.545 2.163 . . . . 0.0 111.837 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.04 -40.8 82.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.62 -48.89 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.481 HG23 ' N ' ' D' ' 29' ' ' ALA . 27.6 m -69.2 -42.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.481 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.79 -40.52 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.613 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.499 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.468 HD21 ' HB3' ' C' ' 26' ' ' LEU . 97.0 m-20 -64.89 -42.52 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.621 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.87 -44.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 89.9 mt -64.19 -43.67 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.66 97.41 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.02 -42.81 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.95 -38.63 86.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.919 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.28 -41.86 85.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.872 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.78 -39.94 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.24 -44.44 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.506 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.5 -43.7 59.52 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.087 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.3 t90 -66.82 -45.94 76.72 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.563 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.92 -44.02 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.462 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.5 mt -65.6 -41.81 92.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.954 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.73 -42.73 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.467 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' D' ' 48' ' ' PHE . 7.9 tpt180 -70.36 -20.04 62.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.623 ' O ' HD23 ' D' ' 46' ' ' LEU . 1.8 tt -62.31 -43.36 99.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.947 0.404 . . . . 0.0 110.106 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -61.36 -45.12 95.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.1 m-85 -131.6 134.25 45.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.643 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.742 ' H3 ' HG13 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.95 137.83 35.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -85.25 -2.71 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.4 m -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.477 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.1 p -84.79 85.62 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.71 151.39 94.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.223 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.13 -19.2 51.24 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.481 2.12 . . . . 0.0 111.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.9 -41.55 99.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.49 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.36 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.401 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.3 -44.31 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.375 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.61 78.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.092 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -40.88 70.64 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.453 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -68.85 -46.66 67.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' ILE . 20.1 tt -65.26 -42.39 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' N ' HG23 ' A' ' 32' ' ' ILE . 81.6 mt -64.07 -43.84 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -45.52 95.03 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.51 -42.86 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.329 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.22 -40.97 95.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.579 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -58.12 -40.52 81.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.136 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.9 mt -59.88 -41.38 91.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.15 -47.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.168 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -66.22 -42.74 88.28 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.21 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.481 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.5 t90 -65.53 -40.92 93.46 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.64 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.82 -43.99 98.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.033 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.66 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.307 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.47 -40.68 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 48' ' ' PHE . 82.3 mtp180 -60.48 -23.77 64.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.804 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.37 -44.4 97.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.431 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 80.4 m-85 -64.01 -45.36 89.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.525 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.4 m-85 -134.52 142.82 47.13 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.58 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -82.05 137.8 34.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.476 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -85.3 -2.69 58.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.0 m -61.14 -43.23 99.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 82.3 p -84.75 85.67 7.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.78 151.36 95.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.255 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.07 -19.21 51.63 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.563 2.175 . . . . 0.0 111.885 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.35 -46.12 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.52 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.29 -44.27 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.66 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.144 0.497 . . . . 0.0 110.224 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.449 ' HB1' ' H15' ' A' ' 100' ' ' A2Y . . . -71.24 -41.02 70.68 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.434 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -68.82 -46.53 68.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.251 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.493 HG23 ' N ' ' B' ' 33' ' ' ILE . 20.1 tt -65.41 -42.31 93.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.692 -179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.493 ' N ' HG23 ' B' ' 32' ' ' ILE . 83.1 mt -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.531 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.28 -45.63 94.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.41 -43.02 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.021 0.439 . . . . 0.0 110.367 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.05 -40.95 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.11 -40.5 81.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.101 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.579 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.0 mt -60.03 -41.28 91.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.35 -47.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.108 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.9 mm? -66.3 -42.84 87.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.162 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.486 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.37 -40.93 94.16 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.038 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.563 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.77 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.368 -179.574 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.5 -40.85 79.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.274 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 48' ' ' PHE . 82.3 mtp180 -60.39 -23.63 64.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.321 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' B' ' 48' ' ' PHE . 80.3 m-85 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.557 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.6 m-85 -134.62 142.84 47.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.636 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.86 137.93 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.42 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -85.4 -2.77 58.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -61.16 -43.25 99.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -84.67 85.69 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.379 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.81 151.27 95.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.254 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.96 -19.32 52.19 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.476 2.117 . . . . 0.0 111.968 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.66 -41.67 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.599 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.43 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.37 -44.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.356 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.64 78.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.14 0.495 . . . . 0.0 110.262 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.99 70.91 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.505 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.88 -46.55 68.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.27 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.49 HG23 ' N ' ' C' ' 33' ' ' ILE . 20.1 tt -65.3 -42.38 93.68 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.669 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.49 ' N ' HG23 ' C' ' 32' ' ' ILE . 82.0 mt -64.07 -43.69 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.66 94.68 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.46 -43.0 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.247 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.04 -41.09 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -57.92 -40.78 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.003 0.43 . . . . 0.0 110.117 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.0 mt -59.87 -41.21 91.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.605 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.29 -47.92 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.157 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.488 HD22 ' N ' ' C' ' 40' ' ' LEU . 3.9 mm? -66.13 -42.72 88.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.287 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.473 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.6 t90 -65.57 -40.82 93.22 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.774 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.72 -44.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.567 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.75 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.323 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.41 -40.73 78.95 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.307 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' C' ' 48' ' ' PHE . 82.3 mtp180 -60.52 -23.64 64.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.347 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' C' ' 48' ' ' PHE . 80.4 m-85 -63.98 -45.33 89.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.5 m-85 -134.49 142.73 47.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.55 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.607 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -82.01 137.91 34.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.44 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -85.33 -2.83 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.35 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 46.0 m -61.13 -43.23 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.491 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 82.0 p -84.73 85.68 7.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.189 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.88 151.19 95.51 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.258 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.87 -19.24 52.78 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.417 2.078 . . . . 0.0 111.923 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.8 -41.51 99.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.37 -46.19 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.37 -44.32 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.74 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 0.0 110.233 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.19 -40.97 70.87 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.522 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -68.72 -46.66 68.35 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.485 HG23 ' N ' ' D' ' 33' ' ' ILE . 20.1 tt -65.28 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.724 0.297 . . . . 0.0 110.726 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.485 ' N ' HG23 ' D' ' 32' ' ' ILE . 82.7 mt -63.98 -43.83 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.54 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.35 -45.39 95.15 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.67 -42.89 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.98 -41.05 95.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.049 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.04 -40.65 81.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.9 mt -59.88 -41.28 91.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.523 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.36 -47.9 88.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.978 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.488 ' N ' HD22 ' D' ' 40' ' ' LEU . 3.9 mm? -66.22 -42.85 88.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.168 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.485 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.6 t90 -65.42 -40.92 93.93 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.715 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.75 -44.0 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.997 0.427 . . . . 0.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.568 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -63.64 -38.82 92.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.46 -40.75 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.2 mtp180 -60.46 -23.59 64.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.53 -44.34 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.343 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' D' ' 48' ' ' PHE . 80.3 m-85 -64.11 -45.19 89.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.57 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.5 m-85 -134.62 142.74 46.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.484 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.628 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.449 ' H15' ' HB1' ' B' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.86 32.86 20.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.76 -38.26 90.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -42.46 96.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.897 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 t -140.01 126.08 19.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 109.944 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.1 150.31 21.21 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.63 -15.42 37.57 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.618 2.212 . . . . 0.0 112.275 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD11 ' ND2' ' B' ' 31' ' ' ASN . 56.4 tp -60.13 -43.79 95.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.2 -36.62 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.26 -44.63 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.04 84.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.279 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB2' ' OD1' ' B' ' 31' ' ' ASN . . . -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.216 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' D' ' 30' ' ' ALA . 32.4 t30 -65.83 -42.15 90.94 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.341 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.45 -43.91 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.459 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.35 82.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.453 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.18 -44.6 93.68 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.411 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.26 -38.94 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.753 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.4 t60 -58.63 -41.23 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.44 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.8 mt -61.02 -38.85 87.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.09 -44.7 98.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.833 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.82 -43.55 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.535 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.507 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 89.4 t90 -68.51 -40.15 80.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.741 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.53 -43.33 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.5 -40.08 95.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.734 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.91 -43.82 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.459 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 95.6 mtt-85 -84.43 -13.83 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.654 ' C ' HD23 ' A' ' 46' ' ' LEU . 7.9 tt -62.22 -46.05 90.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -63.02 -45.18 93.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.874 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' A' ' 45' ' ' ARG . 61.4 m-85 -107.64 116.14 31.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.626 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' B' ' 19' ' ' SER . 6.9 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 55.85 32.85 20.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.472 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.82 -38.02 89.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -60.35 -42.69 96.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.5 t -139.9 125.96 19.78 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.02 150.21 20.84 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.61 -15.45 37.64 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.729 2.286 . . . . 0.0 112.219 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.93 -43.76 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.23 -36.85 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 110.442 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.19 -44.38 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' C' ' 31' ' ' ASN . . . -63.85 -35.47 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.238 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.535 ' ND2' HD11 ' A' ' 26' ' ' LEU . 32.8 t30 -65.92 -41.96 90.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.365 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.64 -43.76 93.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.45 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.417 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.65 94.08 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.16 -39.11 88.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.116 0.484 . . . . 0.0 109.788 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -58.56 -41.17 85.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.543 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.453 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.8 mt -61.11 -38.56 86.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.364 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 -44.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.921 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.9 -43.46 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.648 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.522 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 89.5 t90 -68.43 -40.21 81.27 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.44 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.96 -43.63 94.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 95.6 mtt-85 -84.51 -13.91 50.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.654 ' C ' HD23 ' B' ' 46' ' ' LEU . 7.9 tt -62.2 -45.95 91.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.494 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' B' ' 45' ' ' ARG . 61.2 m-85 -107.76 115.93 31.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.577 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.663 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' C' ' 19' ' ' SER . 7.0 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.9 32.85 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.65 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -60.35 -42.6 96.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -139.98 126.13 19.87 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.16 150.28 21.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.536 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.74 -15.32 37.12 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.69 2.26 . . . . 0.0 112.25 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' D' ' 31' ' ' ASN . 56.5 tp -60.2 -43.83 95.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.569 HG21 ' S ' ' A' ' 100' ' ' A2Y . 3.2 m -65.17 -36.68 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.2 -44.56 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.593 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.83 83.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.549 ' HB2' ' OD1' ' D' ' 31' ' ' ASN . . . -63.87 -35.63 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.253 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.484 ' OD1' ' HB2' ' B' ' 30' ' ' ALA . 33.1 t30 -65.89 -42.1 90.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.225 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.51 -43.89 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.495 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.34 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.439 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -44.5 93.8 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.33 -43.31 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.329 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.27 -38.96 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.825 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.509 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.2 t60 -58.62 -41.24 85.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.472 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.8 mt -60.9 -38.79 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.296 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.27 -44.45 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.962 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.04 -43.43 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.602 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.5 t90 -68.5 -40.15 80.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.51 -43.36 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.48 -40.22 95.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.671 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.82 -43.72 94.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.399 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.501 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.5 mtt-85 -84.6 -13.76 50.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.668 HD23 ' C ' ' C' ' 46' ' ' LEU . 7.9 tt -62.19 -46.16 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.515 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -62.95 -45.15 93.82 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.925 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 45' ' ' ARG . 61.3 m-85 -107.59 116.06 31.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.601 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.668 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.97 32.83 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.75 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.6 t -60.37 -42.63 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -140.03 126.21 19.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.018 0.437 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.14 150.29 21.61 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.499 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.65 -15.46 37.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.685 2.257 . . . . 0.0 112.169 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.442 HD11 ' ND2' ' A' ' 31' ' ' ASN . 56.5 tp -60.0 -43.83 94.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.052 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.23 -36.65 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.34 -44.54 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.526 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.96 84.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.264 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . . . -63.9 -35.49 80.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.192 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB2' ' C' ' 30' ' ' ALA . 31.8 t30 -66.03 -41.9 90.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.119 -0.633 . . . . 0.0 110.407 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.55 -43.87 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.49 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.416 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.68 94.13 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.19 -43.32 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.25 -38.99 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.506 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -58.71 -41.1 85.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.472 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.482 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.8 mt -61.05 -38.65 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.332 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.96 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.84 -43.5 79.37 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.4 t90 -68.41 -40.31 81.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.31 -43.52 97.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.45 -40.08 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 95.6 mtt-85 -84.54 -13.66 51.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.666 ' C ' HD23 ' D' ' 46' ' ' LEU . 7.9 tt -62.22 -46.19 90.0 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.44 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -62.99 -45.09 94.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' D' ' 45' ' ' ARG . 61.1 m-85 -107.57 116.02 31.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.507 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.678 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.569 ' S ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -150.7 164.22 36.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.85 -5.34 57.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -61.49 -36.22 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.9 t -153.09 129.64 10.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.093 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.69 151.42 96.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.528 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.66 -19.05 54.18 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.642 2.228 . . . . 0.0 111.966 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.9 mp -62.44 -41.64 98.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.45 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG21 ' S ' ' A' ' 100' ' ' A2Y . 75.6 t -62.5 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.742 0.306 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.32 -46.49 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.03 77.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.789 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -64.25 -41.92 96.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.57 -43.99 96.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 83.6 mt -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -42.96 99.79 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.77 -43.13 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.52 -38.98 89.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -58.51 -41.39 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.183 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.21 -38.47 86.73 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.671 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.02 -45.37 95.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.928 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.69 -44.4 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.59 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -65.67 -39.27 91.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.9 -45.31 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.19 -39.5 92.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.904 0.383 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 85.8 m-20 -60.61 -45.13 95.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 59.2 ttm-85 -78.73 -21.06 48.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.612 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.3 -42.85 99.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.367 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 48' ' ' PHE . 75.9 m-85 -93.64 40.62 1.07 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -45.84 173.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.269 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.956 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -150.89 163.96 37.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.59 -5.3 56.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 81.9 p -61.46 -36.38 80.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -153.0 129.27 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.108 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 151.41 95.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.558 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.62 -19.21 54.29 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.653 2.236 . . . . 0.0 111.947 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 26' ' ' LEU . 9.8 mp -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.432 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.65 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.56 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.23 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.503 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.73 88.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.751 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.02 -42.14 97.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.33 -44.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.577 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.2 mt -62.93 -43.76 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.08 -42.87 99.93 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.88 -43.03 97.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.438 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.64 -38.76 88.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.46 -41.46 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.231 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.4 mt -61.27 -38.4 86.59 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.9 -45.72 94.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.889 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -71.38 -44.41 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.578 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.462 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.74 -39.25 90.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.97 -45.34 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 110.456 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.14 -39.58 93.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.528 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 87.5 m-20 -60.58 -45.05 95.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.435 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 59.1 ttm-85 -78.85 -21.11 48.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.3 -42.71 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.425 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 48' ' ' PHE . 75.9 m-85 -93.61 40.69 1.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -45.85 173.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.193 179.517 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.024 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -151.2 164.05 37.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.68 -5.4 56.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -61.53 -36.4 80.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 37.8 t -152.89 129.42 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.16 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.42 151.35 96.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.6 -19.22 54.35 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.638 2.225 . . . . 0.0 111.948 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.55 HD12 ' N ' ' C' ' 26' ' ' LEU . 9.8 mp -62.27 -41.77 98.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.367 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.48 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.29 -46.56 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.57 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.74 88.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.12 77.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.99 -42.12 97.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.39 -44.07 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 83.1 mt -63.04 -43.67 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.83 99.91 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.79 -43.14 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.402 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.69 -38.88 89.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.633 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -58.47 -41.37 85.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.239 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.13 -38.53 86.71 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.98 -45.5 95.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.911 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.57 -44.47 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.59 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.469 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -65.53 -39.3 91.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.603 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.81 -45.53 96.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.03 -39.45 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.0 110.647 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 m-20 -60.86 -45.2 95.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 59.0 ttm-85 -78.6 -21.01 49.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.344 . . . . 0.0 110.609 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' C' ' 48' ' ' PHE . 75.9 m-85 -93.54 40.62 1.07 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' C' ' 48' ' ' PHE . 0.1 OUTLIER -46.01 173.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.178 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.913 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -150.92 164.21 36.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.89 -5.11 56.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -36.15 80.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.0 t -153.09 129.29 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.234 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.32 151.39 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.6 -19.25 54.36 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.683 2.255 . . . . 0.0 112.021 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.535 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.7 mp -62.15 -41.9 98.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.447 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.49 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.39 -46.5 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.19 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -64.06 -42.02 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.597 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -43.95 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 83.6 mt -63.03 -43.79 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.97 99.98 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.81 -43.19 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.59 -38.69 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.353 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.52 -41.42 85.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.233 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.633 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.4 mt -61.1 -38.62 86.96 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.611 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.02 -45.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -71.54 -44.38 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.546 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.459 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.8 t90 -65.67 -39.26 91.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.599 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.95 -45.36 97.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.356 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.28 -39.54 92.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.629 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 88.1 m-20 -60.54 -45.06 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.541 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 59.1 ttm-85 -78.79 -21.14 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.649 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.325 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 75.9 m-85 -93.55 40.68 1.07 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' D' ' 48' ' ' PHE . 0.1 OUTLIER -46.06 173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.12 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.896 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.478 ' S ' HG21 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' SER . 9.8 t-20 56.57 41.73 28.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.79 -16.73 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.8 m -58.79 -43.08 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.658 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 66.3 m -147.77 114.37 6.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.837 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.87 153.39 82.98 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.418 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.3 -38.69 26.65 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.939 1.759 . . . . 0.0 112.315 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -62.2 -42.3 99.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.506 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.9 -47.23 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.464 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.84 -45.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.8 89.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.848 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.68 -41.97 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.405 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -43.06 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.4 mm -61.85 -43.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.82 -42.64 99.77 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.38 -43.46 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.28 -38.14 88.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -58.68 -41.74 86.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.02 -40.23 92.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.05 -44.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.638 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.64 -43.85 58.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.197 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 68.1 t90 -66.34 -47.39 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.357 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.5 tt -65.06 -39.8 86.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.27 -41.03 98.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.74 -43.69 94.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.467 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 -68.99 -19.42 64.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.2 tt -61.59 -44.13 97.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.145 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -92.56 40.5 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.615 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.2 136.35 7.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.425 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.584 -179.831 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 23' ' ' SER . 9.8 t-20 56.73 41.62 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.73 -16.72 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.608 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.5 m -58.92 -42.96 90.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' B' ' 20' ' ' ASN . 66.1 m -147.82 114.41 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.777 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 153.38 82.71 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.371 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.28 -38.72 26.54 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.934 1.756 . . . . 0.0 112.313 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.3 mp -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.497 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.67 -47.23 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.624 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.82 -45.8 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.81 94.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.29 -45.67 90.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.64 -42.04 98.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.1 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.4 mm -61.95 -43.69 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.73 99.8 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.27 -43.46 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.365 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.18 -38.31 88.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.51 -41.8 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.93 -40.28 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.06 -44.56 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.63 -43.86 58.48 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.52 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 67.6 t90 -66.24 -47.35 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.431 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.5 tt -65.08 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.125 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.17 -41.09 97.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.95 -43.48 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.393 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.52 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.6 mtt-85 -69.03 -19.48 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -61.65 -44.04 97.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 110.159 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -92.58 40.55 1.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.39 136.54 7.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.391 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.499 -179.745 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' C' ' 23' ' ' SER . 9.9 t-20 56.8 41.68 27.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.71 -16.82 63.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 56.4 m -58.88 -42.97 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.625 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' C' ' 20' ' ' ASN . 66.6 m -147.77 114.53 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 153.46 82.71 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.44 -38.6 27.57 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 121.946 1.764 . . . . 0.0 112.231 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.552 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -62.37 -42.16 99.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.535 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.87 -47.19 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.77 -45.95 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.67 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.775 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.465 ' OD1' ' H15' ' A' ' 100' ' ' A2Y . 98.9 m-20 -63.63 -42.05 98.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.383 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.12 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.492 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -61.8 -43.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.533 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.74 99.8 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.34 -43.47 97.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.17 -38.25 88.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.19 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.68 -41.63 86.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.022 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.01 -40.35 93.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -44.55 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.544 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -43.81 58.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.227 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 67.7 t90 -66.35 -47.39 73.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.41 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.4 tt -64.91 -39.84 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.116 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.744 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.74 -43.66 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.518 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 -68.89 -19.54 64.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.927 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.638 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.2 tt -61.53 -44.17 97.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.161 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -92.59 40.67 1.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.694 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.43 136.5 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' D' ' 23' ' ' SER . 9.9 t-20 56.81 41.65 27.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.79 -16.68 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 56.6 m -58.99 -42.98 91.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' D' ' 20' ' ' ASN . 66.2 m -147.69 114.43 6.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.786 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.9 153.43 82.93 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.433 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.35 -38.71 27.02 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.947 1.765 . . . . 0.0 112.24 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.538 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -62.26 -42.3 99.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.38 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.9 -47.22 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.419 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.87 -45.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.94 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.77 90.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.01 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -43.02 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -61.92 -43.72 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.515 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.66 -42.85 99.82 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.13 -43.5 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.19 -38.23 88.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.58 -41.74 86.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -61.1 -40.19 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.93 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.557 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.59 -43.83 58.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.528 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 67.7 t90 -66.4 -47.28 73.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.373 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.23 -39.46 85.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.47 -41.06 98.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -43.58 94.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.35 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.6 mtt-85 -69.02 -19.41 64.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.884 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.639 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.2 tt -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.111 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -92.72 40.68 1.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.908 0.385 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -46.37 136.47 7.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.458 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.518 -179.727 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.465 ' H15' ' OD1' ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.05 173.64 8.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.58 -39.07 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -57.59 -41.21 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -103.71 96.56 6.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.833 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.28 152.55 81.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.48 -39.14 16.81 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.147 1.898 . . . . 0.0 112.348 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -62.56 -42.33 99.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.528 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.24 -46.19 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.59 -48.3 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.531 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.76 84.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.514 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.45 -43.12 95.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.439 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.93 -43.39 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 96.8 mt -62.76 -42.69 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.391 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -47.84 64.79 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -65.37 -42.49 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.39 -42.29 98.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.57 -44.32 97.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.709 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -59.87 -40.07 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.644 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.21 -43.78 98.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.35 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.53 -41.93 65.3 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -68.82 -47.66 65.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.361 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.3 tt -65.05 -40.67 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 54.2 tp -62.95 -40.44 97.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.447 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' PHE . 98.8 m-20 -61.67 -33.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.608 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -55.85 -41.86 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.313 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.7 mp -61.69 -40.78 96.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.369 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 85.0 m-85 -89.79 -4.95 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.511 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ASP . 95.0 m-85 -155.58 66.02 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.707 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' OXT' ' CZ ' ' D' ' 48' ' ' PHE . 26.2 pttm . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.661 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.2 173.87 8.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.88 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -57.95 -41.11 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.4 t -103.78 96.1 6.47 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.13 152.58 82.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.47 -39.14 16.77 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.263 1.975 . . . . 0.0 112.407 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.549 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.4 mp -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.429 HG21 ' S ' ' A' ' 100' ' ' A2Y . 74.1 t -63.24 -46.21 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.56 -48.22 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.19 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.49 76.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.995 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.22 95.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.16 -43.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.405 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.9 mt -62.57 -42.74 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.27 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.46 -42.52 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.43 -42.1 98.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.759 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -59.85 -40.14 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.3 -43.69 98.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.388 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.4 -42.04 65.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.9 t90 -68.99 -47.61 65.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.284 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.2 tt -64.95 -40.9 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.937 0.399 . . . . 0.0 110.322 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 53.9 tp -62.78 -40.62 97.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' B' ' 48' ' ' PHE . 99.5 m-20 -61.44 -33.88 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.472 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.79 -41.86 74.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 46' ' ' LEU . 10.7 mp -61.86 -40.85 96.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.29 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 84.9 m-85 -89.79 -4.71 57.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.421 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.497 ' CE2' ' OXT' ' C' ' 49' ' ' LYS . 95.8 m-85 -155.69 66.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.702 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.599 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -88.2 173.8 8.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.66 -39.0 92.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -58.03 -41.06 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -103.8 96.38 6.66 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.26 152.78 81.88 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -45.69 -39.11 17.9 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.139 1.893 . . . . 0.0 112.378 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.557 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -62.47 -42.39 99.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.26 -46.03 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -48.19 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.87 84.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.94 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.28 -43.21 95.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.68 -43.47 98.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 96.8 mt -62.71 -42.68 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.9 -47.7 64.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.59 -42.49 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.55 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.48 -42.07 98.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -61.53 -44.42 97.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.839 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 0.9 OUTLIER -59.69 -40.15 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -178.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.21 -43.75 98.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.417 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.65 -41.95 64.91 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -68.85 -47.62 65.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.515 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.3 tt -65.01 -40.84 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 53.7 tp -62.84 -40.49 97.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' C' ' 48' ' ' PHE . 99.3 m-20 -61.54 -33.93 74.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.472 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.65 -41.92 74.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.286 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.515 HD12 ' N ' ' C' ' 46' ' ' LEU . 10.7 mp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.222 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 85.3 m-85 -89.78 -4.95 57.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.424 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' C' ' 44' ' ' ASP . 94.6 m-85 -155.63 66.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.497 ' OXT' ' CE2' ' B' ' 48' ' ' PHE . 26.2 pttm . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.64 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.45 173.82 8.47 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.81 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -58.03 -40.86 81.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -104.0 96.32 6.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -77.36 152.65 81.53 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.463 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.48 -39.05 16.72 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.162 1.908 . . . . 0.0 112.329 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.548 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -62.52 -42.52 99.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 110.474 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.18 -46.07 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.75 -48.18 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.22 86.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.69 76.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.001 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.11 95.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mm -64.11 -43.18 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.589 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.8 mt -62.76 -42.74 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.25 61.55 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -65.25 -42.42 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.647 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.57 -42.16 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.682 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 0.9 OUTLIER -59.79 -40.06 87.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.23 -43.84 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.291 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.35 -41.92 65.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.2 t90 -68.93 -47.73 65.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.276 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.2 tt -64.96 -40.8 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.267 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 54.0 tp -62.91 -40.48 97.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.405 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' D' ' 48' ' ' PHE . 99.2 m-20 -61.58 -33.9 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -55.51 -42.02 73.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.525 ' N ' HD12 ' D' ' 46' ' ' LEU . 10.7 mp -61.69 -40.78 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 85.2 m-85 -89.81 -4.91 57.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.468 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' D' ' 44' ' ' ASP . 95.6 m-85 -155.52 66.54 0.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.668 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.429 ' S ' HG21 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -80.54 -6.62 58.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 35.6 p-10 -90.76 0.82 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.53 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -61.14 -44.19 97.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -149.12 -143.8 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.171 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.14 115.51 62.91 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 -16.18 23.06 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.806 1.671 . . . . 0.0 111.981 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.27 -41.82 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.39 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.563 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.37 -44.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.14 95.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.53 -36.64 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.58 -38.63 91.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.95 -41.74 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.243 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.573 HG23 HD11 ' B' ' 38' ' ' LEU . 1.8 mp -61.37 -43.42 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.548 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.21 -55.95 26.79 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.283 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.8 mp -69.77 -43.79 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.576 0.227 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.2 -45.55 94.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.785 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.55 -40.58 92.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.646 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.2 mt -60.73 -39.58 89.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.41 -44.52 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.969 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.2 mm? -71.63 -43.06 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.22 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -69.3 -45.89 68.5 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.59 -43.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.253 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' N ' HG23 ' A' ' 42' ' ' ILE . 82.2 mt -65.4 -42.14 92.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.2 t0 -53.75 -34.92 60.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.64 -42.39 88.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.1 mp -62.27 -44.7 95.94 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.768 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.55 -45.68 82.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.72 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.4 150.26 34.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.499 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -80.71 -6.61 58.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -90.65 0.62 57.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.97 -44.13 97.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.969 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -149.28 -143.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.142 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.05 115.55 63.01 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.551 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.17 -15.92 22.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.733 1.622 . . . . 0.0 112.098 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.4 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t -62.3 -46.21 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.611 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.53 -44.83 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.35 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.71 73.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.47 -38.67 92.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.1 -41.91 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.272 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' C' ' 38' ' ' LEU . 1.9 mp -61.31 -43.23 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.39 -55.87 27.37 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.258 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.567 HD12 ' N ' ' B' ' 35' ' ' ILE . 1.8 mp -69.97 -43.67 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 120.666 0.269 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.22 -45.69 93.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.706 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.75 91.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.043 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.3 mt -60.7 -39.59 89.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.237 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.17 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -71.59 -43.12 66.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.199 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -69.4 -45.73 68.56 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.64 -43.55 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.318 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.465 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.52 -42.09 92.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.0 t0 -53.95 -34.79 60.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -58.62 -42.48 88.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 46' ' ' LEU . 10.1 mp -62.23 -44.72 95.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.778 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.34 -45.84 82.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.896 0.379 . . . . 0.0 110.718 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -147.39 150.23 34.27 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.444 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -80.64 -6.64 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 35.5 p-10 -90.63 0.73 57.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.09 -44.07 97.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -149.18 -143.79 0.14 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -87.06 115.54 62.98 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.21 -15.86 22.65 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.612 1.542 . . . . 0.0 112.06 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.34 -41.89 98.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.822 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -62.25 -46.42 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.3 -44.87 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.18 95.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.64 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.449 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -38.76 92.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.14 -41.69 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.327 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.574 HG23 HD11 ' D' ' 38' ' ' LEU . 1.9 mp -61.4 -43.35 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.481 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.29 -55.91 27.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.229 -0.986 . . . . 0.0 111.324 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.558 ' N ' HD12 ' C' ' 35' ' ' ILE . 1.8 mp -69.96 -43.78 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.98 -45.78 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.798 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.7 91.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.092 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.3 mt -60.75 -39.45 88.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.65 99.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.093 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.463 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.2 mm? -71.58 -43.12 66.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.168 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -69.35 -45.78 68.59 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.65 -43.51 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.262 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' C' ' 42' ' ' ILE . 82.3 mt -65.47 -42.24 92.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.774 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.1 t0 -53.77 -34.96 60.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.314 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.59 -42.45 88.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.58 HD12 ' N ' ' C' ' 46' ' ' LEU . 10.1 mp -62.26 -44.74 95.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.38 -45.75 82.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.849 0.357 . . . . 0.0 110.708 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.48 150.16 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.632 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -80.54 -6.65 58.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 35.7 p-10 -90.65 0.75 57.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.02 -44.16 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -149.2 -143.75 0.14 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.199 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.2 115.66 63.44 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.26 -16.06 22.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.812 1.674 . . . . 0.0 111.944 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.41 -41.72 98.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.42 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.625 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.38 -45.03 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.13 96.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.761 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.48 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.54 -38.73 92.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.97 -42.04 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' A' ' 38' ' ' LEU . 1.9 mp -61.18 -43.37 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.542 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.46 -55.77 27.94 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.266 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ILE . . . . . 0.548 HD12 ' N ' ' D' ' 35' ' ' ILE . 1.8 mp -69.98 -43.74 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.03 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.805 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.646 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.57 -40.56 92.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.09 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.2 mt -60.72 -39.69 89.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.046 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.64 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.035 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.449 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.2 mm? -71.45 -43.11 67.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.256 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -69.45 -45.76 68.33 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.0 tt -63.58 -43.79 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.214 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.468 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.3 mt -65.27 -42.21 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.865 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.1 t0 -53.83 -34.93 60.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.249 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.56 -42.43 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.575 ' N ' HD12 ' D' ' 46' ' ' LEU . 10.0 mp -62.2 -44.86 95.63 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.786 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.34 -45.87 82.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.837 0.351 . . . . 0.0 110.67 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -147.38 150.37 34.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.528 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -70.51 -22.4 62.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.14 -43.77 92.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -62.09 -39.58 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.525 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 t -156.95 127.8 6.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -79.24 152.59 76.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.36 -18.07 54.69 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.657 2.238 . . . . 0.0 112.232 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.94 -41.18 97.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.34 -46.68 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.71 -45.62 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.87 96.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -61.76 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -65.12 -42.87 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.62 -44.67 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -64.57 -43.93 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.4 90.07 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.33 -42.91 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.004 0.431 . . . . 0.0 110.278 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -39.89 84.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -58.53 -40.6 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.4 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.05 -39.81 87.26 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.82 -44.03 93.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -73.48 -44.91 56.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.056 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.4 t90 -64.65 -39.38 93.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -46.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.613 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.45 -37.91 88.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.892 0.377 . . . . 0.0 110.62 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 95.2 m-20 -58.5 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.509 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 52.4 ttm-85 -65.05 -52.11 57.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.067 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 4.0 mm? -63.38 -42.83 98.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 49' ' ' LYS . 62.6 m-85 -101.26 40.71 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.382 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.71 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 47' ' ' PHE . 88.1 tttt . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.504 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.22 -22.44 62.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.01 -43.53 91.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.417 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -62.52 -39.07 92.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 45.1 t -157.13 127.91 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.3 OUTLIER -79.53 152.38 75.46 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.569 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.11 -18.22 56.12 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.706 2.271 . . . . 0.0 112.142 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.91 -40.85 96.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.85 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.475 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.58 -44.92 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.17 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.628 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' C' ' 31' ' ' ASN . . . -62.51 -41.98 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 ' HB2' ' A' ' 30' ' ' ALA . 24.3 t-20 -66.26 -42.85 87.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.79 -44.32 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.656 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 94.0 mt -64.8 -43.91 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.3 -47.53 89.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.23 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.09 -40.21 84.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.36 -40.55 82.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.286 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.05 -43.98 93.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.4 -45.17 56.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.04 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.458 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.1 t90 -64.32 -39.48 94.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.68 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.52 -46.63 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.16 -37.6 87.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.412 . . . . 0.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.53 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 94.9 m-20 -58.85 -43.19 90.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.53 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 52.3 ttm-85 -64.77 -52.23 58.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' B' ' 46' ' ' LEU . 4.0 mm? -63.31 -43.08 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' B' ' 49' ' ' LYS . 63.5 m-85 -101.02 40.81 1.24 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.446 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -45.83 86.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 47' ' ' PHE . 87.9 tttt . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.569 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.29 -22.81 62.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -58.38 -44.1 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.445 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.07 -39.11 91.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -157.39 127.49 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.47 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.3 OUTLIER -79.03 152.46 76.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.444 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.19 -18.03 55.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.665 2.244 . . . . 0.0 112.247 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.02 -40.8 96.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.99 -45.96 97.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.39 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.72 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -62.24 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' B' ' 30' ' ' ALA . 23.7 t-20 -65.68 -42.71 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.77 -44.88 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 94.2 mt -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.1 -47.61 88.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.18 -42.79 97.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.995 0.426 . . . . 0.0 110.177 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.348 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -58.75 -40.75 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.312 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.22 -39.4 86.49 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.14 -43.99 94.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.506 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.0 mm? -73.43 -44.76 57.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.104 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.3 t90 -64.78 -39.15 93.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.795 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.74 -46.78 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.579 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.11 -38.04 89.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.5 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 92.4 m-20 -58.47 -43.62 89.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.449 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.53 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 52.5 ttm-85 -64.32 -52.12 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.451 HD22 ' N ' ' C' ' 46' ' ' LEU . 4.0 mm? -63.54 -42.83 98.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.569 ' O ' ' N ' ' C' ' 49' ' ' LYS . 63.0 m-85 -101.45 40.88 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' C' ' 48' ' ' PHE . 0.0 OUTLIER -45.81 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.601 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' C' ' 47' ' ' PHE . 88.0 tttt . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.529 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -70.52 -22.76 62.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.6 -43.81 89.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.427 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -62.6 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -158.05 127.81 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.472 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.3 OUTLIER -79.59 152.57 75.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -17.78 55.24 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.265 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.12 -41.03 97.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.94 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.422 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.34 -45.08 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.18 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.74 99.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.649 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' C' ' 30' ' ' ALA . 23.7 t-20 -65.49 -43.01 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.47 -44.86 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.628 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 93.3 mt -64.28 -44.14 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.81 -47.88 87.45 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.18 -43.0 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.386 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.82 -39.87 82.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.482 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.6 -40.76 84.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.305 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.4 mt -60.01 -39.54 86.16 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.018 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.96 -44.08 93.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.501 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.36 -44.42 58.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.181 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.4 t90 -65.1 -39.36 93.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.64 -46.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.15 -37.79 88.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.996 0.427 . . . . 0.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.506 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 93.9 m-20 -58.64 -43.42 89.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.527 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 53.1 ttm-85 -64.54 -52.48 57.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' D' ' 46' ' ' LEU . 4.0 mm? -63.2 -42.81 99.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.037 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' D' ' 49' ' ' LYS . 63.1 m-85 -101.27 40.79 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.641 ' N ' ' CD1' ' D' ' 48' ' ' PHE . 0.0 OUTLIER -45.92 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' D' ' 47' ' ' PHE . 88.1 tttt . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.432 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 55.97 40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.5 -40.07 90.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.14 -43.93 98.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.23 100.77 8.6 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.91 133.14 92.2 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.483 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.06 -19.18 30.31 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.742 1.628 . . . . 0.0 112.348 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.24 -45.21 94.36 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.634 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.7 -45.47 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.09 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.14 78.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.13 -41.59 97.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.87 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 86.6 mt -63.59 -43.47 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.38 98.14 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -42.92 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.81 -38.25 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.33 -41.46 84.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.962 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.63 -40.14 90.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.175 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.42 -44.42 99.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.464 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.36 -43.76 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.6 t90 -67.93 -46.7 70.79 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.667 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.0 tt -64.65 -38.77 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.125 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.79 -42.14 98.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.655 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.3 m-20 -60.7 -42.69 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.28 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' PHE . 5.8 tmm_? -67.4 -21.18 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.677 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.8 tt -62.5 -47.4 84.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.26 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -62.49 -46.74 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.724 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' ARG . 72.4 m-85 -113.01 120.22 40.6 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.37 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.515 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.0 39.96 30.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.47 -40.0 89.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.12 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.643 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.19 100.65 8.53 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.77 133.07 91.83 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.09 -19.21 30.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.872 1.715 . . . . 0.0 112.215 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.28 -45.17 94.47 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.587 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.82 -45.5 94.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.87 -45.28 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.08 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.614 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.03 -41.64 97.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.86 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 87.1 mt -63.46 -43.66 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.94 -42.93 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 0.0 110.111 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.82 -38.21 84.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.837 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.31 -41.66 84.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.961 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.2 mt -60.47 -40.26 90.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.16 -44.46 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.612 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.31 -43.99 63.37 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.255 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.3 t90 -67.7 -46.81 71.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.51 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.0 tt -64.7 -38.79 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.8 -42.19 98.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.58 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.448 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.4 m-20 -60.73 -42.7 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.187 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 5.8 tmm_? -67.4 -21.19 65.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.663 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.8 tt -62.36 -47.58 83.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.309 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -62.34 -46.75 87.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.734 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 45' ' ' ARG . 72.2 m-85 -113.09 120.15 40.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.581 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 55.97 40.06 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -39.99 90.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.726 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -61.2 -43.96 98.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -114.13 100.68 8.56 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.8 133.17 91.93 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.549 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.17 -19.09 30.04 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.756 1.637 . . . . 0.0 112.306 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.39 -45.07 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.741 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.477 HG21 ' S ' ' A' ' 100' ' ' A2Y . 71.1 t -64.79 -45.4 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.561 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.91 -45.29 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.95 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.656 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.2 -41.66 96.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 87.0 mt -63.52 -43.64 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.28 -44.42 98.11 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.88 -43.01 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.116 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.74 -38.21 84.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.23 -41.64 84.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.982 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.66 -40.23 91.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.102 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.53 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.26 -43.79 63.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.383 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.5 t90 -67.83 -46.8 70.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.656 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.529 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.0 tt -64.65 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.116 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.79 -42.24 98.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.3 m-20 -60.75 -42.73 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 5.8 tmm_? -67.38 -21.06 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.632 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.8 tt -62.52 -47.46 83.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 110.183 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -62.39 -46.81 86.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.701 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' C' ' 45' ' ' ARG . 72.7 m-85 -113.05 120.07 40.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 55.85 40.21 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.59 -40.05 90.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.689 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -61.2 -43.86 98.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.26 100.64 8.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.78 133.11 91.87 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.546 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.11 -19.11 30.23 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.784 1.656 . . . . 0.0 112.233 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.6 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.68 -45.59 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.81 -45.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.454 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.0 93.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.2 -41.54 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.58 -43.87 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 86.7 mt -63.49 -43.58 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -44.34 98.18 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.0 -42.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 110.07 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.77 -38.22 84.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.72 84.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.1 mt -60.57 -40.22 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -44.49 99.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.515 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.3 -44.03 63.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.349 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.65 -46.85 71.23 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.54 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.0 tt -64.7 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.78 -42.14 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.3 m-20 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 5.8 tmm_? -67.45 -21.29 65.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.619 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.8 tt -62.34 -47.53 83.8 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.225 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -62.4 -46.7 87.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 72.3 m-85 -113.12 120.29 40.78 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.492 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.477 ' S ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -92.52 6.76 46.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.423 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -83.93 -2.09 55.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.912 0.387 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.405 ' O ' ' OD2' ' D' ' 24' ' ' ASP . 78.0 p -65.63 -33.27 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.683 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 m -148.53 130.27 15.08 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.18 0.514 . . . . 0.0 110.209 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -49.42 151.59 2.66 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.83 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -48.68 -42.91 35.54 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.326 2.017 . . . . 0.0 112.285 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.2 mp -62.5 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.431 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.71 -46.36 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.517 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.18 -46.68 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.376 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.9 88.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.01 -40.73 64.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.485 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.18 -39.92 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.06 -43.18 95.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 51.4 mm -62.51 -45.8 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.28 54.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.13 -42.42 95.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.183 0.516 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.86 -41.51 91.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.445 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.352 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.9 mt -60.32 -39.96 88.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.545 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.48 -45.12 94.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.345 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -72.39 -44.86 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.29 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 81.0 t90 -64.97 -38.3 90.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.91 -44.25 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.49 -43.69 96.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.46 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.79 -39.97 93.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.13 -38.64 89.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.433 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.73 -42.61 97.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.61 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -87.27 -6.26 58.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' O ' ' B' ' 49' ' ' LYS . 96.5 m-85 -146.35 100.8 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.515 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' CZ ' ' D' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -91.98 6.74 45.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.402 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -84.05 -2.13 56.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.6 -33.7 76.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -147.97 130.1 15.47 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.09 0.471 . . . . 0.0 110.244 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -49.4 151.25 2.79 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.804 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -48.45 -42.82 34.27 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.278 1.986 . . . . 0.0 112.261 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.2 mp -62.66 -43.33 99.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.369 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.88 -46.06 92.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.121 0.486 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.47 -46.65 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.328 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.57 88.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.449 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -40.51 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.455 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.4 -39.9 95.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.81 -43.48 96.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 51.4 mm -62.43 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.919 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.36 54.57 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.03 -42.42 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.386 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.86 -41.42 91.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.382 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.59 -39.6 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -60.32 -40.07 89.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.53 -45.19 94.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -72.43 -44.88 61.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.375 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.5 t90 -64.75 -38.42 90.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.92 -44.33 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.49 -43.46 96.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.412 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.04 -40.05 94.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.502 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.72 -42.6 97.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -87.15 -6.35 58.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.537 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CZ ' ' O ' ' C' ' 49' ' ' LYS . 96.5 m-85 -146.29 100.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.498 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.06 6.72 45.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -83.8 -1.92 55.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.736 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -148.17 130.05 15.24 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.225 0.536 . . . . 0.0 110.302 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -49.3 151.47 2.58 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.6 -42.92 35.06 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.25 1.967 . . . . 0.0 112.332 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.546 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.1 mp -62.55 -43.51 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.341 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.66 -46.34 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.22 -46.74 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.77 87.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.71 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.46 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.32 -39.97 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.36 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.76 -43.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 51.3 mm -62.36 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -51.29 55.02 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.18 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.02 -42.4 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.226 0.536 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.08 -41.3 92.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.66 -39.53 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -60.25 -40.0 88.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.624 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.62 -45.09 94.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.318 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.4 -45.04 61.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 81.1 t90 -64.8 -38.39 90.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.97 -44.25 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.885 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.53 -43.43 97.16 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.46 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.9 -40.2 94.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.508 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.8 -38.85 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.48 -42.85 97.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -87.23 -6.13 58.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' O ' ' D' ' 49' ' ' LYS . 96.6 m-85 -146.38 100.47 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.663 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.514 ' O ' ' CZ ' ' B' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -91.72 6.37 46.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -83.68 -1.71 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.8 p -66.19 -33.22 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -148.35 130.46 15.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.248 0.547 . . . . 0.0 110.185 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 22' ' ' SER . 48.2 m-20 -49.79 151.04 3.37 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.719 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.15 -43.01 32.21 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.251 1.967 . . . . 0.0 112.291 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.55 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.1 mp -62.48 -43.48 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.7 -46.38 92.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.19 -46.58 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.305 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.78 88.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.27 -40.08 64.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.75 -39.67 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.18 -43.4 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 51.6 mm -62.41 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.917 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.65 -51.33 54.87 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.14 -42.34 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.04 -41.21 91.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.571 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.78 -39.4 80.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.337 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.47 -39.9 89.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.567 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.67 -45.21 94.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.242 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.28 -45.07 61.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.8 t90 -64.64 -38.51 91.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.87 -44.35 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.5 96.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.518 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.94 -40.16 94.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -61.97 -38.78 89.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.445 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.56 -42.82 97.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -87.04 -6.62 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.533 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 49' ' ' LYS . 96.5 m-85 -146.0 100.83 3.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 49' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' C' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.492 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -82.21 145.15 30.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 35.0 p-10 -87.27 -0.24 56.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 m -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -142.45 102.98 4.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.81 152.38 59.46 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.74 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.51 -36.28 9.7 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.328 2.018 . . . . 0.0 112.067 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.6 mp -64.16 -40.95 97.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.97 -50.22 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.72 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 29' ' ' ALA . 23.3 m -67.93 -41.59 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.53 -39.16 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.19 98.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.628 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.99 -42.71 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.35 -44.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 91.2 mt -63.57 -43.92 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -45.25 96.98 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.46 -42.9 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.138 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.1 -38.55 83.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.002 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.32 -41.33 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.2 mt -60.7 -39.77 89.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.283 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.57 -43.28 60.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.243 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.8 t90 -67.69 -47.17 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.8 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.061 0.458 . . . . 0.0 110.215 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.84 -43.2 99.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.76 -39.49 94.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 48' ' ' PHE . 32.5 mmt180 -63.74 -39.18 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.66 -44.39 96.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.57 -41.41 69.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 45' ' ' ARG . 85.9 m-85 -124.91 135.08 52.52 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.63 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -82.13 144.54 30.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 34.6 p-10 -87.0 -0.51 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -59.74 -42.41 93.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.5 m -142.1 103.8 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.051 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.61 152.34 57.09 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -44.29 -36.7 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.415 2.077 . . . . 0.0 112.152 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.55 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.6 mp -63.97 -40.99 97.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.01 -50.16 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' B' ' 29' ' ' ALA . 23.4 m -67.94 -41.79 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.596 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.42 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.643 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.77 -42.81 97.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.3 -44.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.447 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -63.61 -43.85 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.3 96.88 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -42.84 97.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -38.76 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.98 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -58.33 -41.37 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.627 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.3 mt -60.6 -39.87 89.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.71 -44.55 98.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.386 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 50.7 mt -73.51 -43.24 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.303 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.9 t90 -67.68 -47.24 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.352 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.627 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -63.69 -36.76 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.214 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.82 -43.21 99.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.681 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.4 94.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' B' ' 48' ' ' PHE . 32.6 mmt180 -63.72 -39.19 93.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.75 -44.31 96.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.65 -41.42 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.713 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 86.4 m-85 -124.74 135.2 52.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.671 179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -81.9 144.6 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 33.7 p-10 -86.82 -0.56 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.434 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -59.88 -42.01 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.708 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 70.0 m -142.44 103.2 4.21 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.072 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 152.36 58.67 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.678 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.44 -36.54 9.79 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.327 2.018 . . . . 0.0 112.173 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.558 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.6 mp -63.93 -40.94 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.425 HG22 ' H3 ' ' A' ' 100' ' ' A2Y . 77.4 t -60.99 -50.08 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' C' ' 29' ' ' ALA . 23.1 m -68.12 -41.52 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.669 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.56 -38.99 93.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.38 98.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.91 -42.9 97.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.656 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.17 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -63.51 -43.96 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.406 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.33 96.8 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.54 -42.88 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.411 . . . . 0.0 110.035 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -38.59 83.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.036 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.41 -41.26 84.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.238 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.616 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.6 -39.98 90.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.61 -44.56 98.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.374 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.58 -43.34 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.189 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.8 t90 -67.52 -47.26 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.2 tt -63.84 -36.73 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 110.168 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.8 -43.14 99.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.742 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.5 94.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' PHE . 32.4 mmt180 -63.75 -39.12 93.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.92 -44.24 96.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.7 -41.22 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ARG . 86.6 m-85 -125.02 135.08 52.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.616 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.528 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -81.95 144.49 30.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 34.2 p-10 -86.77 -0.52 56.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.457 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -59.81 -42.33 93.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 69.1 m -142.2 103.35 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.24 152.37 58.15 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.33 -36.71 9.63 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.271 1.981 . . . . 0.0 112.089 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.547 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.6 mp -63.82 -41.2 97.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.7 -50.09 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 110.8 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.417 HG23 ' N ' ' D' ' 29' ' ' ALA . 22.7 m -68.01 -41.73 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.585 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.417 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.508 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.89 -42.83 97.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.18 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.4 mt -63.67 -43.78 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.29 96.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.48 -42.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.905 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.23 -41.37 83.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.633 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.3 mt -60.5 -39.94 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.56 -44.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.354 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.68 -43.2 60.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.297 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -67.45 -47.31 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.633 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -63.75 -36.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.09 0.472 . . . . 0.0 110.265 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.74 -43.18 99.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.741 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.87 -39.42 94.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' D' ' 48' ' ' PHE . 32.6 mmt180 -63.79 -39.05 93.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.78 -44.48 96.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' D' ' 45' ' ' ARG . 86.0 m-85 -124.87 135.21 52.68 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.547 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mttp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.616 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.425 ' H3 ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.79 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.545 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 40.0 p-10 -69.27 -2.94 11.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.722 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.5 t -61.69 -43.66 98.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.553 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -148.9 124.3 10.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.07 150.14 89.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.13 -21.59 48.52 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.292 1.995 . . . . 0.0 112.183 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.722 HD11 ' ND2' ' B' ' 31' ' ' ASN . 55.9 tp -62.65 -43.26 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.6 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.9 -44.19 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 0.0 110.534 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.673 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.8 98.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.724 ' ND2' HD11 ' D' ' 26' ' ' LEU . 43.9 t30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.392 . . . . 0.0 110.652 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -42.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.36 -43.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.89 -45.16 94.85 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.96 -43.05 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.48 -38.17 86.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.047 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.38 -41.67 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.917 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.6 mt -61.64 -39.49 91.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.114 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.87 -44.61 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.553 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -74.15 -46.23 43.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.381 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 66.0 t90 -63.68 -46.7 84.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.511 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.8 tt -65.31 -37.81 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.134 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.15 -42.73 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 64.7 t0 -60.73 -43.97 97.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.29 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 24.7 mmt85 -66.92 -24.83 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.2 tt -61.04 -45.44 94.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.185 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 85.3 m-85 -68.9 -72.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.58 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 95.8 m-85 -156.42 159.44 38.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.656 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.596 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 39.8 p-10 -69.35 -2.99 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -61.52 -43.66 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.0 m -148.93 124.34 10.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.117 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.11 150.2 89.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.342 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.26 -21.44 47.94 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.412 2.074 . . . . 0.0 112.164 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.701 HD11 ' ND2' ' C' ' 31' ' ' ASN . 57.0 tp -62.83 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.529 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.98 -44.17 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.98 -43.71 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.19 84.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.577 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.91 98.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.722 ' ND2' HD11 ' A' ' 26' ' ' LEU . 44.3 t30 -64.39 -42.57 96.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.6 -42.82 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.443 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.41 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.576 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.02 -45.18 94.6 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.0 -42.91 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.53 -41.67 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.845 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.54 -39.44 91.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.44 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.56 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.05 -46.52 42.72 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.9 t90 -63.44 -46.7 85.09 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.673 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.8 tt -65.25 -37.83 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.085 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.24 -42.78 99.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.579 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 64.7 t0 -60.7 -43.92 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 110.269 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 24.8 mmt85 -66.76 -25.04 66.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.584 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -61.23 -45.31 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.086 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 85.3 m-85 -68.72 -72.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.605 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 95.5 m-85 -156.39 159.52 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.566 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.76 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -69.35 -3.09 12.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 40.2 t -61.32 -43.82 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -148.92 124.31 10.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.11 150.14 89.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.337 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.16 -21.49 48.49 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.451 2.101 . . . . 0.0 112.21 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.689 HD11 ' ND2' ' D' ' 31' ' ' ASN . 57.6 tp -62.88 -43.02 99.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.537 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.02 -44.33 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.396 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.85 -43.82 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.18 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.701 ' ND2' HD11 ' B' ' 26' ' ' LEU . 44.0 t30 -64.53 -42.56 95.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.54 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.7 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.369 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.9 mm -62.33 -43.9 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.614 -179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -45.28 94.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.94 -42.91 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.979 0.419 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.65 -37.99 86.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.627 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -41.63 86.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.941 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -61.52 -39.52 91.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.1 -44.45 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.496 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 tp -74.19 -46.42 42.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.312 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 66.3 t90 -63.58 -46.62 85.02 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.8 tt -65.18 -37.85 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.089 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.23 -42.64 99.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.441 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 64.8 t0 -60.78 -43.84 97.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 0.0 110.274 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 24.7 mmt85 -66.93 -24.9 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.623 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.3 tt -61.16 -45.4 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 85.2 m-85 -68.89 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.543 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.454 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 95.8 m-85 -156.39 159.48 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.596 179.724 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.64 -38.24 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.53 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 40.2 p-10 -69.14 -3.12 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -61.43 -43.8 98.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -148.77 124.32 10.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.178 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.02 150.11 90.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -67.23 -21.54 48.0 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.362 2.041 . . . . 0.0 112.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.724 HD11 ' ND2' ' A' ' 31' ' ' ASN . 56.5 tp -62.85 -43.08 99.74 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.541 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.87 -44.37 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.96 -43.69 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.446 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.14 84.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.76 97.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.689 ' ND2' HD11 ' C' ' 26' ' ' LEU . 43.9 t30 -64.34 -42.64 96.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.71 -42.85 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.9 mm -62.36 -43.84 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.583 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.06 -45.07 94.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.13 -42.84 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.47 -38.21 86.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.025 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.6 -41.64 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.627 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -61.55 -39.44 91.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.03 -44.42 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.48 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -74.27 -46.42 41.47 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 66.3 t90 -63.45 -46.72 84.96 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.554 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.8 tt -65.22 -37.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.095 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.463 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.0 t0 -60.8 -43.92 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 24.8 mmt85 -66.85 -24.9 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.618 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.628 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.3 tt -61.32 -45.23 95.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.863 0.363 . . . . 0.0 110.173 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 85.4 m-85 -68.82 -72.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.645 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 95.4 m-85 -156.4 159.54 38.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.653 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.11 -41.12 99.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.01 -42.33 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -60.99 -43.19 99.2 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -78.7 86.85 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.237 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.45 151.11 82.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.179 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -67.79 -18.73 47.48 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.49 2.127 . . . . 0.0 112.124 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -61.8 -49.83 74.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 110.524 -179.214 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.93 -43.9 89.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.44 -43.95 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.51 74.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.6 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.92 -44.46 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.532 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.529 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.3 mt -61.9 -42.67 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.13 -44.41 83.7 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.72 -43.14 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.59 -42.61 99.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.522 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.13 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.4 mt -60.19 -39.16 85.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.74 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.72 -45.23 99.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.247 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' C ' HH22 ' B' ' 45' ' ' ARG . 85.3 mt -67.55 -43.46 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.477 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.9 t90 -68.59 -37.76 80.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.323 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.96 -46.1 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.32 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.385 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -50.18 -45.32 53.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.513 HH22 ' C ' ' D' ' 40' ' ' LEU . 41.0 ttm180 -63.11 -37.42 87.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.0 tt -60.0 -43.78 94.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.14 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.29 -46.2 91.3 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.551 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.6 m-85 -133.05 136.28 45.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.391 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.718 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.96 -41.24 99.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.632 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -63.06 -42.48 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.545 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -60.82 -43.17 98.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 37.6 t -78.76 86.91 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.173 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.46 151.19 82.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.153 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -67.9 -18.67 46.83 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.468 2.112 . . . . 0.0 112.07 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -61.87 -49.77 74.92 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.777 0.322 . . . . 0.0 110.523 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.01 -43.97 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.423 . . . . 0.0 110.434 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.37 -44.13 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.65 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.48 92.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.786 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.69 -42.72 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.521 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.9 mt -62.07 -42.69 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.56 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.36 83.37 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 mm -66.79 -42.98 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.63 -42.68 99.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.53 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -61.05 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.4 mt -60.11 -39.19 85.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.795 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.67 -45.22 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.26 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.41 ' C ' HH22 ' C' ' 45' ' ' ARG . 85.8 mt -67.5 -43.77 80.09 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.341 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.5 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.8 t90 -68.43 -37.66 80.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.04 -45.99 94.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -38.38 90.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.293 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -50.15 -45.32 53.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.883 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.514 HH22 ' C ' ' A' ' 40' ' ' LEU . 41.1 ttm180 -63.06 -37.42 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.627 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.0 tt -60.0 -43.92 94.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.083 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -61.23 -46.28 91.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.6 m-85 -132.96 136.27 45.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.425 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.719 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.06 -41.23 99.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -63.04 -42.47 99.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -60.87 -43.3 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 37.3 t -78.84 86.9 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.142 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.43 151.17 83.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.172 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -67.82 -18.72 47.33 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.505 2.137 . . . . 0.0 112.103 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.532 HD13 ' O ' ' C' ' 26' ' ' LEU . 0.2 OUTLIER -61.78 -49.83 74.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.874 0.369 . . . . 0.0 110.664 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.9 t -66.81 -44.07 89.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.409 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.4 -44.01 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -49.53 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.479 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.68 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.84 -44.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.508 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 89.8 mt -62.03 -42.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.33 -44.3 84.66 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.76 -43.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.762 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.75 -42.69 99.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.491 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -60.89 -43.23 98.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.4 mt -60.29 -39.28 86.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -45.12 99.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.538 ' C ' HH22 ' D' ' 45' ' ' ARG . 85.9 mt -67.46 -43.64 80.56 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.335 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.496 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.72 80.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.89 -46.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.25 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -50.16 -45.2 53.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.906 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' C' ' 48' ' ' PHE . 41.1 ttm180 -63.19 -37.4 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.617 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.0 tt -59.94 -43.86 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.13 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -61.29 -46.09 91.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.6 m-85 -133.16 136.38 45.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.297 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 pttm . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.779 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.97 -41.32 99.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.98 -42.49 99.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.519 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.695 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -78.79 86.94 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.207 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.55 151.27 82.8 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.1 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -67.87 -18.7 47.02 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.487 2.124 . . . . 0.0 112.057 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.536 HD13 ' O ' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -61.75 -49.89 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.596 -179.227 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -43.89 88.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.018 0.437 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.43 -44.06 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.514 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.57 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.6 95.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.62 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.413 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.0 mt -61.92 -42.65 95.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.41 84.15 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.68 -43.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.704 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.73 -42.77 99.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.43 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.552 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.95 -43.2 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.785 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.4 mt -60.24 -39.0 85.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.86 -45.25 99.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.274 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.513 ' C ' HH22 ' A' ' 45' ' ' ARG . 85.4 mt -67.44 -43.68 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.491 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.67 80.12 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.325 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.95 -46.18 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.362 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -50.18 -45.2 53.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.87 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.538 HH22 ' C ' ' C' ' 40' ' ' LEU . 41.1 ttm180 -63.19 -37.61 87.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.701 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.631 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.0 tt -59.79 -43.88 94.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.174 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -61.31 -46.14 91.52 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.5 m-85 -132.97 136.12 45.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.983 0.42 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.792 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.56 -40.26 96.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.46 -33.94 77.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.5 p -58.15 -33.89 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -75.89 -136.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -102.64 104.28 37.57 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.174 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.12 -38.78 60.99 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.818 1.678 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.33 -49.49 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.938 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 29' ' ' ALA . 24.0 m -68.43 -42.06 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.77 -38.78 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.579 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.74 98.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -64.77 -43.44 93.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.22 -44.12 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -64.52 -43.71 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.31 95.65 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.93 -42.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.132 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.82 -38.05 84.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.699 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.53 -42.1 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.041 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.5 mt -61.17 -39.83 91.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.403 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.1 -44.75 59.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.266 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.0 t90 -66.14 -45.78 79.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -64.32 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.048 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 42.5 mt -64.64 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.438 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' B' ' 45' ' ' ARG . 91.6 m-20 -61.32 -36.72 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' D' ' 44' ' ' ASP . 17.2 mmm180 -60.66 -37.63 82.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.404 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.67 -41.1 98.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.538 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 48.1 m-85 -92.34 -3.12 55.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.587 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 97.0 m-85 -155.16 83.55 1.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.481 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.64 -40.14 96.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.43 -33.89 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.27 -33.72 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -76.0 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.52 104.39 37.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.359 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -51.13 -38.77 61.04 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.814 1.676 . . . . 0.0 112.368 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.522 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.5 mp -63.48 -42.1 98.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.38 -49.41 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.767 0.318 . . . . 0.0 110.949 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 29' ' ' ALA . 24.5 m -68.29 -42.2 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.922 0.392 . . . . 0.0 110.581 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.428 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.74 -38.72 92.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.612 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.83 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -64.77 -43.5 93.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.722 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.1 -44.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 110.494 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.453 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.48 -43.74 96.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -45.1 95.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -64.1 -42.64 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.426 . . . . 0.0 110.037 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.75 -37.95 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.845 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.624 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.6 -42.24 87.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.944 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.5 mt -61.13 -39.82 91.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.4 -44.31 99.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.456 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -73.18 -44.93 59.11 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.107 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -65.99 -45.74 80.5 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -64.43 -41.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.919 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.417 ' N ' HG23 ' B' ' 42' ' ' ILE . 42.6 mt -64.67 -38.44 91.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.41 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.443 ' CG ' ' NH2' ' C' ' 45' ' ' ARG . 91.9 m-20 -61.36 -36.74 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.529 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 44' ' ' ASP . 17.3 mmm180 -60.5 -37.75 82.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.468 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -40.98 98.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 48.3 m-85 -92.29 -3.16 55.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.551 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 97.0 m-85 -155.09 83.54 1.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.375 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.521 179.738 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.58 -40.23 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.446 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.64 -33.63 76.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.609 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 53.3 p -58.3 -33.93 70.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.486 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.9 t -75.81 -136.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.53 104.26 36.97 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.258 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.06 -38.86 60.53 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.849 1.7 . . . . 0.0 112.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.541 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -63.27 -42.25 99.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.236 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.25 -49.4 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.963 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' C' ' 29' ' ' ALA . 24.1 m -68.35 -42.15 84.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.961 0.41 . . . . 0.0 110.529 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.69 -38.95 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.515 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.75 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -64.79 -43.53 92.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.95 -44.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.3 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.34 95.71 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.92 -42.72 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.131 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.93 -37.91 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.803 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -42.15 87.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.96 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.624 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.16 -39.79 91.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.109 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.31 -44.36 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.463 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.532 ' O ' HD13 ' C' ' 40' ' ' LEU . 0.2 OUTLIER -73.06 -44.99 59.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.182 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 69.8 t90 -65.97 -45.75 80.57 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -64.33 -41.21 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.015 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 42.6 mt -64.66 -38.43 90.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' D' ' 45' ' ' ARG . 91.8 m-20 -61.22 -36.81 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NH2' ' CG ' ' B' ' 44' ' ' ASP . 17.1 mmm180 -60.61 -37.48 81.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.534 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.75 -41.19 99.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 48.3 m-85 -92.19 -3.16 55.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 96.9 m-85 -155.1 83.51 1.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.427 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.504 179.838 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.51 -40.2 96.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.58 -33.7 76.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 53.3 p -58.27 -33.91 69.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.483 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -75.86 -136.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 104.43 38.39 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.07 -38.96 60.87 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.841 1.694 . . . . 0.0 112.318 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.544 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -63.34 -41.99 98.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.38 -49.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 111.074 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 29' ' ' ALA . 24.2 m -68.37 -42.03 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.432 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.83 -38.89 92.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.494 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.74 98.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -64.69 -43.5 93.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.08 -44.19 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.483 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.1 mt -64.64 -43.55 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.34 95.59 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.95 -42.78 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.87 -37.88 83.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.695 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.69 -42.12 87.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.949 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -61.14 -39.93 91.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.415 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 40' ' ' LEU . 0.2 OUTLIER -73.09 -44.89 59.85 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.1 t90 -66.08 -45.81 79.94 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -64.3 -41.19 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.931 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.413 ' N ' HG23 ' D' ' 42' ' ' ILE . 43.6 mt -64.59 -38.55 91.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.447 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 45' ' ' ARG . 92.5 m-20 -61.23 -36.63 80.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.667 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' C' ' 44' ' ' ASP . 17.3 mmm180 -60.72 -37.52 81.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.76 -41.05 99.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.4 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 48.3 m-85 -92.2 -3.28 55.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 96.9 m-85 -155.06 83.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CD1' ' C' ' 48' ' ' PHE . 53.6 mtmt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.482 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 47.2 p30 -66.61 -24.75 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 94.6 m-20 -84.14 -2.76 57.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.8 p -62.21 -27.71 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.69 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.3 p -151.46 125.18 9.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.62 153.97 81.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.436 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.56 -18.11 58.58 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.667 2.245 . . . . 0.0 111.946 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.38 -39.95 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' CG1' ' H3 ' ' A' ' 100' ' ' A2Y . 89.4 t -60.77 -45.62 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.782 0.325 . . . . 0.0 110.48 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.25 -45.06 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.6 97.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.89 -42.2 97.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.09 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.82 -44.02 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -47.86 82.64 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.6 -42.68 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.211 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.47 -40.27 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.112 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -57.78 -40.99 81.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.082 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.38 -39.55 87.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.978 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.61 -44.7 99.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.338 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.3 -44.32 59.31 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.278 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.39 -47.14 74.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.363 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.0 tt -64.56 -33.84 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.47 -43.95 97.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.267 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -64.27 -40.9 96.91 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.58 -22.29 61.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.28 -43.13 99.53 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.433 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -93.94 -0.99 55.3 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.584 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -147.56 84.1 1.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.218 -0.594 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.404 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 47.1 p30 -66.58 -24.93 66.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 94.3 m-20 -83.87 -2.76 57.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -62.18 -27.83 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.8 p -151.46 125.17 9.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.58 154.03 81.16 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.441 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.54 -18.11 58.65 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.687 2.258 . . . . 0.0 111.9 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.52 -39.87 94.92 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.93 -45.37 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.428 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.44 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.747 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.8 97.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.73 -42.23 97.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.77 -43.05 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.87 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.58 84.47 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.73 -42.66 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.888 0.375 . . . . 0.0 110.12 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.54 -40.16 90.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.132 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.05 81.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.121 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.39 -39.53 87.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.56 -44.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.281 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.3 mp -73.26 -44.33 59.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.269 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.5 t90 -66.4 -47.14 74.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.467 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.9 tt -64.51 -33.75 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.859 0.361 . . . . 0.0 110.256 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.32 -44.13 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -64.09 -40.81 97.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.678 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.71 -22.37 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.38 -42.99 99.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.396 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -93.96 -1.1 55.12 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -147.34 84.02 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.386 179.83 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 46.9 p30 -66.74 -24.8 66.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.668 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 94.5 m-20 -83.92 -2.89 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -62.11 -27.89 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 70.2 p -151.32 125.21 9.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.7 154.11 81.45 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.325 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.6 -18.05 58.26 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.61 2.207 . . . . 0.0 112.025 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.39 -40.01 95.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.84 -45.54 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.12 -45.32 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.9 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.88 97.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.78 -42.16 97.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.12 96.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.8 mm -62.68 -44.06 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.56 84.91 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.65 -42.71 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.206 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.6 -40.01 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.108 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.597 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.83 -41.08 81.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.165 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.4 -39.6 87.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.49 -44.71 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.316 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.483 ' N ' HD12 ' C' ' 40' ' ' LEU . 11.3 mp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.192 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.35 -47.16 74.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.463 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.9 tt -64.44 -33.82 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.853 0.359 . . . . 0.0 110.214 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.26 -44.12 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -71.58 -22.36 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.434 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -93.96 -1.13 55.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.37 83.92 1.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.514 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 19' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' D' ' 22' ' ' SER . 33.2 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 47.0 p30 -66.75 -24.83 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 94.2 m-20 -84.0 -2.81 57.32 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.624 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' D' ' 19' ' ' SER . 78.4 p -62.23 -27.71 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 68.8 p -151.47 125.22 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.68 154.01 81.67 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.433 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.57 -18.04 58.39 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.708 2.272 . . . . 0.0 111.965 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.53 -39.97 95.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.449 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.94 -45.32 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.3 -45.28 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.82 95.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.66 97.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.758 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.76 -42.09 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.647 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.83 -43.12 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.8 mm -62.92 -43.91 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.68 83.49 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.57 -42.78 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.957 0.408 . . . . 0.0 110.189 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.52 -39.95 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.1 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.096 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.0 mt -60.62 -39.36 87.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.6 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.309 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.478 HD12 ' N ' ' D' ' 40' ' ' LEU . 11.3 mp -73.28 -44.43 59.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.318 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -66.36 -47.04 74.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.496 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.9 tt -64.55 -33.85 65.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.188 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.27 -44.09 97.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.26 -40.88 96.91 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.69 -22.18 61.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.35 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.403 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -94.03 -1.09 55.0 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.563 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -147.38 83.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.407 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.427 ' H3 ' ' CG1' ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 57.65 40.44 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -72.44 -20.16 61.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -63.57 -34.01 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -150.98 135.35 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.1 148.99 48.41 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.64 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.25 -40.33 21.81 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 121.826 1.684 . . . . 0.0 112.37 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.15 -41.83 89.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.81 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.137 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 29' ' ' ALA . 14.8 p -69.55 -42.23 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.256 0.551 . . . . 0.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -61.53 -41.33 97.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.671 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.32 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.624 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -64.61 -42.86 95.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.26 -44.43 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.375 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 89.6 mt -63.96 -44.12 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.28 94.16 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.58 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.44 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -57.72 -41.95 82.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.5 mm -60.62 -45.88 96.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.697 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.97 -46.34 44.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 68.0 t90 -62.13 -48.09 81.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.278 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.6 tt -65.79 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.227 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 50.5 tp -63.07 -42.31 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.776 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.72 -44.72 90.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.549 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' PHE . 43.0 ttm180 -68.42 -20.22 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.694 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.3 tt -62.61 -49.83 73.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.242 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.62 -45.49 86.68 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.946 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ARG . 64.8 m-85 -109.82 121.53 45.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.424 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 57.58 40.49 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.62 -20.11 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -63.54 -33.94 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -151.2 135.32 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.17 149.01 49.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -46.1 -40.39 21.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.913 1.742 . . . . 0.0 112.413 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -41.87 89.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.989 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.81 -50.24 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.184 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.501 HG13 ' N ' ' B' ' 29' ' ' ALA . 14.8 p -69.62 -42.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.123 0.487 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.501 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -61.49 -41.07 96.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.79 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.36 99.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.533 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.6 -42.93 95.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -44.4 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.7 mt -64.13 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.36 -46.42 93.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.51 -43.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.176 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.27 -38.05 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -57.71 -41.78 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.9 mt -60.7 -40.07 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -60.66 -45.91 96.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.727 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.93 -46.19 45.83 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 68.0 t90 -62.14 -48.22 81.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.248 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.573 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.7 tt -65.74 -40.43 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.243 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.01 -42.33 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.76 -44.65 90.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.506 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 48' ' ' PHE . 43.0 ttm180 -68.47 -20.29 64.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.577 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -62.52 -50.0 73.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.899 0.38 . . . . 0.0 110.197 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.63 -45.36 87.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' B' ' 45' ' ' ARG . 64.7 m-85 -109.9 121.54 45.46 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.433 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 57.63 40.42 26.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -72.49 -20.07 61.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -63.66 -33.98 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -151.01 135.47 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.26 148.92 50.48 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -46.05 -40.51 20.85 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.93 1.753 . . . . 0.0 112.321 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.15 -41.85 89.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.95 -50.07 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.086 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.511 HG13 ' N ' ' C' ' 29' ' ' ALA . 14.8 p -69.72 -42.21 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.141 0.496 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.511 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -61.46 -41.33 97.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.38 99.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -64.52 -42.9 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -44.38 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -64.09 -44.01 97.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.31 -46.56 93.65 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.52 -43.03 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.27 -38.1 82.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.04 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -57.89 -41.68 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.67 -40.22 91.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mm -60.78 -45.8 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.687 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.83 -46.18 46.63 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.181 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 67.7 t90 -62.26 -48.18 81.06 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.218 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.6 tt -65.65 -40.64 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.137 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 50.2 tp -62.98 -42.43 99.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.58 -44.66 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.615 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' C' ' 48' ' ' PHE . 43.0 ttm180 -68.62 -20.18 64.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.567 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.3 tt -62.49 -50.07 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.272 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.52 -45.37 87.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' C' ' 45' ' ' ARG . 64.8 m-85 -109.83 121.54 45.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.556 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 57.66 40.43 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.65 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -72.62 -20.07 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -63.62 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -151.08 135.18 16.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.77 149.1 44.26 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.712 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -46.33 -40.4 22.25 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.908 1.739 . . . . 0.0 112.352 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.17 -41.85 89.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.101 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.507 HG13 ' N ' ' D' ' 29' ' ' ALA . 14.9 p -69.66 -42.1 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.128 0.49 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.507 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.683 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -64.63 -42.85 95.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.29 -44.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.7 mt -64.06 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.38 -46.41 93.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.42 -43.23 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.32 -38.05 82.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -57.93 -41.65 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.63 -40.16 90.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.055 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.7 mm -60.67 -45.83 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.713 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.97 -46.29 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 67.7 t90 -62.17 -48.23 80.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.578 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.67 -40.46 87.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.175 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 50.5 tp -63.0 -42.44 99.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.7 -44.68 90.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.496 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 43.0 ttm180 -68.63 -20.18 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.628 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.578 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.3 tt -62.6 -49.81 73.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.18 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.85 -45.13 87.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.911 0.386 . . . . 0.0 110.963 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 65.3 m-85 -109.94 121.43 45.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.38 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -136.06 106.76 6.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.441 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 36.9 p-10 -88.75 -0.47 57.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -61.59 -43.97 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -134.79 113.5 11.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.116 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 154.58 94.2 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.531 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -48.39 -37.79 33.36 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.699 1.599 . . . . 0.0 111.958 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 26' ' ' LEU . 4.1 mm? -64.08 -40.75 96.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG22 ' S ' ' A' ' 100' ' ' A2Y . 67.3 t -62.67 -50.41 79.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.566 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 29' ' ' ALA . 9.2 p -70.81 -43.46 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 0.0 110.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -58.61 -46.26 87.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.673 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.23 96.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.482 HD22 HD11 ' A' ' 35' ' ' ILE . 16.7 t-20 -64.45 -43.68 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.32 -44.19 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.446 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 95.2 mt -64.81 -43.7 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -45.29 93.24 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 31' ' ' ASN . 85.9 mt -63.78 -42.73 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.021 0.439 . . . . 0.0 110.053 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.76 83.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.57 -41.59 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.87 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -61.11 -39.39 89.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.93 -49.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.33 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.15 -44.16 72.86 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.2 t90 -65.88 -36.65 84.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 111.022 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.61 -42.82 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.15 -40.03 92.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 93.6 m-20 -64.19 -30.85 71.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 61.0 ttt85 -58.14 -38.2 76.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.199 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -41.9 97.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.421 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 44.2 m-85 -87.61 -2.13 58.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.542 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' PHE . 87.6 m-85 -156.9 70.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -136.11 106.8 6.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -88.85 -0.37 57.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.442 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.78 -43.69 98.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -134.89 113.43 11.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 154.64 94.13 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -48.28 -37.78 32.51 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.813 1.675 . . . . 0.0 112.015 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.518 HD22 ' N ' ' B' ' 26' ' ' LEU . 4.1 mm? -64.13 -40.79 96.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.573 HG22 ' S ' ' A' ' 100' ' ' A2Y . 57.3 t -62.78 -50.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.423 -178.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 29' ' ' ALA . 9.2 p -70.79 -43.45 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.241 0.543 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.528 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -58.71 -46.21 87.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -40.14 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.504 HD22 HD11 ' B' ' 35' ' ' ILE . 16.2 t-20 -64.56 -43.7 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.28 -44.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.338 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.1 mt -64.81 -43.81 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.3 93.42 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.504 HD11 HD22 ' B' ' 31' ' ' ASN . 85.0 mt -63.65 -42.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.074 0.464 . . . . 0.0 110.031 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.96 -37.69 83.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.999 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.5 -41.7 85.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.812 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.599 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.06 -39.45 89.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.88 -49.8 79.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.314 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.08 -44.33 72.75 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.4 t90 -65.77 -36.7 84.3 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.668 0.27 . . . . 0.0 110.931 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.76 -42.69 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.18 -40.04 92.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 93.2 m-20 -64.29 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 61.0 ttt85 -58.03 -38.2 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.26 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.99 -41.92 97.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.484 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 44.1 m-85 -87.58 -2.15 58.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.484 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' B' ' 47' ' ' PHE . 86.8 m-85 -156.89 70.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.445 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.492 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -136.04 106.78 6.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -88.79 -0.36 57.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.512 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.61 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 32.5 t -134.9 113.43 11.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.88 154.63 94.16 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -48.27 -37.87 32.63 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.837 1.691 . . . . 0.0 111.958 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.534 HD22 ' N ' ' C' ' 26' ' ' LEU . 4.0 mm? -64.18 -40.78 96.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.54 -50.6 79.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.784 0.326 . . . . 0.0 111.406 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' C' ' 29' ' ' ALA . 9.3 p -70.57 -43.58 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -58.53 -46.33 87.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.585 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.21 96.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.499 HD22 HD11 ' C' ' 35' ' ' ILE . 16.9 t-20 -64.52 -43.62 93.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.3 -44.24 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.397 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 95.6 mt -64.88 -43.76 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.45 -45.41 93.3 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.499 HD11 HD22 ' C' ' 31' ' ' ASN . 85.2 mt -63.72 -42.77 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.063 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.74 83.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.4 -41.56 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.906 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -61.29 -39.39 90.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.87 -49.85 79.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.221 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.1 -44.19 72.96 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.1 t90 -65.93 -36.64 83.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.695 0.283 . . . . 0.0 110.9 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.8 mt -61.73 -42.7 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.18 -40.15 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.286 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 94.5 m-20 -64.16 -30.89 71.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 61.0 ttt85 -58.06 -38.14 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.98 -41.95 97.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.482 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 44.0 m-85 -87.65 -2.02 58.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' C' ' 47' ' ' PHE . 87.2 m-85 -156.93 70.9 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.435 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.59 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.06 106.79 6.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 36.6 p-10 -88.89 -0.36 57.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.403 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.77 -43.7 98.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.654 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -134.97 113.4 11.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.039 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.88 154.62 94.17 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.37 -37.87 33.35 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.839 1.693 . . . . 0.0 111.811 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.517 HD22 ' N ' ' D' ' 26' ' ' LEU . 4.0 mm? -64.02 -40.85 97.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.436 HG13 ' H3 ' ' A' ' 100' ' ' A2Y . 65.6 t -62.65 -50.44 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.48 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' D' ' 29' ' ' ALA . 9.2 p -70.73 -43.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.394 0.616 . . . . 0.0 110.28 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -58.75 -46.21 87.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.596 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.516 HD22 HD11 ' D' ' 35' ' ' ILE . 16.2 t-20 -64.48 -43.76 93.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.18 -44.31 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.1 mt -64.8 -43.76 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.34 93.41 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ILE . . . . . 0.516 HD11 HD22 ' D' ' 31' ' ' ASN . 84.9 mt -63.9 -42.7 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 110.032 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.91 -37.78 83.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.978 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.946 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.9 mt -61.17 -39.39 89.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.83 -49.89 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.327 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.18 -44.05 72.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.2 t90 -65.92 -36.66 83.99 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 110.955 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.7 -42.52 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.36 -40.13 93.14 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.222 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 93.4 m-20 -64.08 -31.04 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 61.0 ttt85 -58.08 -37.99 75.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.31 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.14 -41.92 97.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.478 ' O ' ' CD2' ' D' ' 48' ' ' PHE . 44.7 m-85 -87.53 -2.23 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.374 . . . . 0.0 110.458 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' D' ' 47' ' ' PHE . 87.6 m-85 -156.84 70.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.676 179.863 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.573 ' S ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.94 -40.06 95.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.482 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' SER . 80.7 p -62.11 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' SER . 24.5 p 38.64 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.537 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -46.25 144.56 3.09 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.632 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.95 -24.39 39.66 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.245 1.964 . . . . 0.0 112.072 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.23 -44.34 95.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 74.0 t -65.43 -47.1 88.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.496 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 89.9 t -62.78 -45.63 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.25 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.15 82.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.577 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HB1' ' H25' ' A' ' 100' ' ' A2Y . . . -54.15 -50.94 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.251 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 27' ' ' VAL . 3.8 p-10 -65.69 -39.95 91.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.741 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.484 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.94 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -45.25 89.19 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.2 -42.99 97.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.96 -40.94 95.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.57 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.47 -40.87 83.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.14 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.62 -39.18 87.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.25 -44.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.942 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.1 mm? -73.53 -44.06 58.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.49 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.2 t90 -67.41 -45.34 76.43 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.8 tt -61.87 -38.83 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.396 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -62.04 -43.68 98.31 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.106 -179.478 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' PHE . 77.9 ttt180 -62.22 -42.55 99.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.1 tt -61.09 -48.22 82.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.967 0.413 . . . . 0.0 110.354 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 43' ' ' LEU . 5.5 m-85 -62.8 -46.41 88.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.373 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.1 m-85 -130.51 138.9 50.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.311 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.478 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.9 -39.92 95.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -42.62 98.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.416 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 23' ' ' SER . 80.2 p -62.19 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 22' ' ' SER . 24.5 p 38.52 93.66 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.582 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -46.25 144.51 3.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.746 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.91 -24.27 40.06 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.185 1.923 . . . . 0.0 112.077 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.42 -44.21 95.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.46 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 74.2 t -65.57 -46.95 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.543 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 86.8 t -62.69 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.6 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.02 65.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 27' ' ' VAL . 3.8 p-10 -65.64 -40.04 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.711 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.51 -42.92 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.492 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.03 -44.12 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.33 88.3 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.17 -42.91 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.08 -40.94 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.43 -40.92 83.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.57 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -60.57 -39.3 87.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.11 -44.22 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.937 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.472 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -73.46 -44.05 58.92 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.502 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.0 t90 -67.35 -45.37 76.56 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -61.88 -38.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.325 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.95 -43.71 98.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.134 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.53 -41.22 97.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 48' ' ' PHE . 77.8 ttt180 -62.22 -42.46 99.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.676 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.577 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.1 tt -61.23 -48.1 83.01 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.279 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' B' ' 43' ' ' LEU . 5.4 m-85 -62.88 -46.36 88.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.4 m-85 -130.55 138.9 50.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.504 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.88 -40.0 95.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.23 -42.55 98.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.442 ' O ' ' O ' ' C' ' 23' ' ' SER . 80.6 p -62.06 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.442 ' O ' ' O ' ' C' ' 22' ' ' SER . 24.4 p 38.65 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -46.26 144.56 3.1 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.757 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.91 -24.3 39.98 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.299 2.0 . . . . 0.0 112.167 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.29 -44.29 95.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.449 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 72.5 t -65.56 -46.89 88.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 89.5 t -62.96 -45.58 98.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.18 82.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.618 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.88 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.269 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' C' ' 27' ' ' VAL . 3.8 p-10 -65.58 -40.18 92.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.5 -42.79 97.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.93 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.49 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.15 -45.12 89.14 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.12 -42.99 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.423 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 tp -60.93 -40.96 95.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.21 -41.29 83.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.105 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.9 mt -60.42 -39.15 86.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -44.25 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.871 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.484 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.1 mm? -73.58 -43.93 58.53 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.494 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.46 -45.32 76.3 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -61.85 -38.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.411 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.543 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -43.74 98.19 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.035 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.53 -41.25 97.06 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' C' ' 48' ' ' PHE . 77.7 ttt180 -62.08 -42.63 99.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.592 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.1 tt -61.08 -48.28 82.43 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.287 -178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' C' ' 43' ' ' LEU . 5.4 m-85 -62.78 -46.37 88.35 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.1 m-85 -130.41 138.91 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.295 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.827 -1.082 . . . . 0.0 110.597 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 19' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' D' ' 22' ' ' SER . 13.0 p . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.84 -40.11 95.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.56 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.13 -42.61 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.507 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.437 ' O ' ' O ' ' D' ' 23' ' ' SER . 80.3 p -62.09 -43.35 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' SER . . . . . 0.437 ' O ' ' O ' ' D' ' 22' ' ' SER . 24.6 p 38.55 93.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -46.39 144.66 3.16 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.807 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.05 -24.26 39.18 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.198 1.932 . . . . 0.0 112.056 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.49 -44.21 95.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 70.9 t -65.35 -47.22 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 89.2 t -62.67 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.246 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.1 82.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.72 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.344 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' D' ' 27' ' ' VAL . 3.8 p-10 -65.75 -40.14 91.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.41 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.08 -45.16 89.13 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.18 -42.86 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.07 -41.02 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.4 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.68 -39.29 87.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.861 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.467 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.61 -43.97 58.27 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.48 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.1 t90 -67.45 -45.21 76.65 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.548 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -62.02 -38.83 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.442 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.548 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -62.0 -43.68 98.33 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.49 -41.2 96.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' D' ' 48' ' ' PHE . 77.9 ttt180 -62.17 -42.51 99.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.688 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.594 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.1 tt -61.29 -48.13 82.82 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.321 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.425 ' CE1' HD11 ' D' ' 43' ' ' LEU . 5.5 m-85 -62.7 -46.46 88.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.1 m-85 -130.45 138.94 50.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.231 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.539 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.414 ' H25' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 46.4 p-10 -113.27 -33.43 5.97 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 68.1 t0 -63.96 -43.16 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -62.31 -43.43 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -151.57 131.75 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' HG22 ' A' ' 27' ' ' VAL . 10.7 m-20 -49.16 149.24 3.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.592 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.35 -15.37 34.86 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.571 2.181 . . . . 0.0 112.313 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.62 -42.35 92.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.94 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 24' ' ' ASP . 3.5 m -62.72 -39.05 83.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 110.449 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 27' ' ' VAL . 91.0 t -61.25 -44.83 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.44 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.03 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 93.2 m-20 -63.66 -42.66 98.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.7 mt -62.17 -43.5 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.891 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.25 99.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 39' ' ' ILE . 80.2 mt -61.72 -37.33 83.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.601 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -42.57 87.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.922 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -60.61 -39.82 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 36' ' ' LEU . 69.1 mt -59.34 -49.42 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.849 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -70.8 -43.38 68.78 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.479 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.23 -48.22 71.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 14.2 tt -65.47 -39.74 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -41.37 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.647 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 65.7 t0 -58.34 -47.93 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 90.6 mtt180 -76.39 -21.41 56.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.27 -46.09 90.35 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -87.4 -41.98 13.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -101.14 146.64 27.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.594 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.493 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 46.4 p-10 -113.14 -33.49 5.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 67.6 t0 -63.82 -43.31 96.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -62.12 -43.52 98.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -151.55 131.82 13.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.919 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' HG22 ' B' ' 27' ' ' VAL . 10.8 m-20 -49.18 149.25 3.7 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.592 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.43 -15.38 34.59 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.647 2.231 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.71 -42.34 92.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.732 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 24' ' ' ASP . 3.5 m -62.76 -39.14 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.42 . . . . 0.0 110.446 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.4 ' N ' HG23 ' B' ' 27' ' ' VAL . 91.0 t -61.12 -44.95 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.36 84.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.12 93.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.72 -42.52 97.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.15 -43.19 95.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.5 mt -62.12 -43.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.45 99.78 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -43.23 97.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.117 0.484 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD23 HD12 ' B' ' 39' ' ' ILE . 80.4 mt -61.7 -37.4 84.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.018 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.32 -42.21 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.601 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.75 -40.08 91.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.464 HD12 HD23 ' B' ' 36' ' ' LEU . 69.1 mt -59.17 -49.61 82.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.699 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.538 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.1 mp -70.52 -43.59 69.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.569 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.2 t90 -66.21 -48.17 71.48 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.636 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.1 tt -65.47 -39.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.42 . . . . 0.0 109.981 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -41.3 97.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.46 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 65.6 t0 -58.18 -48.25 80.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 90.8 mtt180 -76.35 -21.17 56.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.38 -46.04 90.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.839 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -87.44 -41.9 13.21 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -101.17 146.66 27.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.488 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 46.3 p-10 -113.2 -33.36 6.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 68.1 t0 -64.02 -43.24 96.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.606 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -62.14 -43.62 98.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -151.43 131.91 13.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.758 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.408 ' O ' HG22 ' C' ' 27' ' ' VAL . 10.8 m-20 -49.29 149.35 3.82 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.569 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.54 -15.29 34.15 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.639 2.226 . . . . 0.0 112.211 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.66 -42.23 92.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.791 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.408 HG22 ' O ' ' C' ' 24' ' ' ASP . 3.4 m -62.99 -38.83 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.857 0.361 . . . . 0.0 110.464 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.34 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.324 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.6 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.476 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.95 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.12 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.09 -43.56 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.24 99.72 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.88 -43.18 97.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.28 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.474 HD23 HD12 ' C' ' 39' ' ' ILE . 80.5 mt -61.69 -37.28 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.067 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.43 -42.41 87.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.895 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.5 mt -60.73 -39.87 90.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ILE . . . . . 0.474 HD12 HD23 ' C' ' 36' ' ' LEU . 69.3 mt -59.18 -49.6 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.675 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' C' ' 40' ' ' LEU . 10.2 mp -70.85 -43.43 68.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.46 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.552 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.528 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.1 tt -65.37 -39.59 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 110.073 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 6.0 tt -62.17 -41.17 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 65.9 t0 -58.38 -48.1 81.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.134 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.46 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 90.8 mtt180 -76.27 -21.22 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.295 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.38 -46.06 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.49 -41.91 13.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -101.22 146.62 27.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.562 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 46.5 p-10 -113.15 -33.5 5.98 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 67.6 t0 -63.92 -43.18 96.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.665 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -62.17 -43.56 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -151.47 131.96 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.936 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.46 149.26 4.14 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.38 -15.36 34.75 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.738 2.292 . . . . 0.0 112.231 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.8 -42.36 93.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.764 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.587 HG21 ' S ' ' A' ' 100' ' ' A2Y . 3.3 m -62.87 -38.84 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.892 0.377 . . . . 0.0 110.515 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.3 -44.93 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.55 84.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.431 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -61.49 -39.83 92.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.78 -42.64 97.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.729 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.18 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.416 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.2 mt -62.16 -43.44 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -42.37 99.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.82 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 110.196 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.449 HD23 HD12 ' D' ' 39' ' ' ILE . 80.3 mt -61.66 -37.51 84.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.081 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.549 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.52 -42.09 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.89 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 39' ' ' ILE . . . . . 0.449 HD12 HD23 ' D' ' 36' ' ' LEU . 68.8 mt -59.14 -49.56 82.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.755 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.543 HD12 ' N ' ' D' ' 40' ' ' LEU . 10.2 mp -70.73 -43.38 69.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.513 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.3 t90 -66.22 -48.21 71.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.522 HG22 ' O ' ' D' ' 38' ' ' LEU . 14.1 tt -65.51 -39.62 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.058 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -41.32 98.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.539 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.6 t0 -58.15 -48.26 80.82 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.077 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 90.7 mtt180 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.28 -46.11 90.25 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.786 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -87.49 -41.75 13.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.152 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.28 146.61 27.32 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.545 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' A2Y . . . . . 0.587 ' S ' HG21 ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.803 0.335 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.44 -45.18 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.515 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.02 95.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.43 82.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.854 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -63.97 -41.91 97.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.484 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.34 -42.92 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.07 -43.74 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.24 -42.5 99.31 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.26 -43.41 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.511 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -38.97 90.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.038 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.6 t60 -58.72 -41.18 85.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -61.56 -38.06 86.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.96 -45.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.784 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -71.19 -44.88 64.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.805 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.1 t90 -66.33 -38.7 88.26 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.6 0.238 . . . . 0.0 110.874 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.6 -42.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.22 -42.51 91.15 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.23 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 45.3 t0 -62.35 -38.98 91.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.178 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 20.5 mmm180 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.759 0.314 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.49 -45.14 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.3 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.5 81.61 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.833 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.98 -41.86 97.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.394 . . . . 0.0 110.563 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.32 -42.94 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.26 -43.61 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.473 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.47 99.13 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.21 -43.38 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.17 -38.86 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.5 t60 -58.74 -41.18 85.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.95 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.0 mt -61.63 -38.06 86.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.98 -45.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.92 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.25 -44.82 64.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.805 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.1 t90 -66.29 -38.77 88.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 110.873 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.59 -42.27 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.02 -42.5 90.31 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.358 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.445 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 45.3 t0 -62.42 -39.0 91.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 0.0 110.161 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.31 -45.11 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.13 95.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.69 81.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.795 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.589 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.3 -42.97 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -62.14 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.481 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.2 -42.41 99.38 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.39 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.21 -38.79 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.039 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.5 t60 -58.69 -41.22 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.072 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.61 -38.11 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.81 -45.84 94.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.06 -44.87 64.88 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.461 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.0 t90 -66.42 -38.62 87.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.549 0.214 . . . . 0.0 110.844 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.53 -42.38 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.96 -42.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.299 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.34 -38.93 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.032 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.38 -45.29 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.04 95.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.59 81.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.9 -41.91 97.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.349 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -42.97 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -62.06 -43.79 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.46 99.31 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.4 -43.33 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -39.0 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.097 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.6 t60 -58.66 -41.22 85.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.995 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.0 mt -61.44 -38.15 86.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -45.66 94.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.822 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.2 -44.83 64.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.477 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.0 t90 -66.4 -38.73 88.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.603 0.24 . . . . 0.0 110.872 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -42.21 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.27 -42.41 91.14 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.236 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.479 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 45.7 t0 -62.45 -39.0 91.94 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.11 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.03 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.724 0.297 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 27.5 m -69.03 -42.59 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.532 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.85 -40.55 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.85 -42.39 94.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.05 -44.12 95.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.449 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.1 mt -64.14 -43.67 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -44.8 97.26 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.01 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 0.0 110.125 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.02 -38.47 86.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.887 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.22 -41.96 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.825 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.98 -39.86 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -44.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.518 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.56 -43.51 59.69 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.137 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.3 t90 -66.98 -45.86 76.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.575 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.4 tt -64.99 -44.11 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.416 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' HG23 ' A' ' 42' ' ' ILE . 83.0 mt -65.49 -41.99 92.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.454 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.724 0.297 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 29' ' ' ALA . 27.7 m -69.22 -42.38 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.47 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.0 -40.42 97.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.578 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.78 -42.52 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.628 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.01 -44.02 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.18 -43.88 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.88 97.21 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.83 -42.85 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.06 0.457 . . . . 0.0 110.173 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.11 -38.45 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.999 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.95 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.909 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.68 -40.06 90.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.059 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.512 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.37 -43.75 60.0 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.171 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -66.88 -45.87 76.72 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.576 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.495 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.02 -44.04 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.413 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.47 -42.0 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.01 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.58 -42.64 99.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.476 HG23 ' N ' ' C' ' 29' ' ' ALA . 27.5 m -69.0 -42.48 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.476 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.77 -40.61 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.92 -42.49 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.97 -44.01 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -64.25 -43.58 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -44.71 97.33 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.01 -42.81 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.944 0.402 . . . . 0.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.95 -38.55 86.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.917 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.19 -41.92 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.923 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.87 -39.9 90.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.144 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.13 -44.5 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.591 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.53 -43.5 59.84 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.428 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -67.03 -45.82 76.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.593 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.483 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.421 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.447 ' N ' HG23 ' C' ' 42' ' ' ILE . 83.0 mt -65.4 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.6 -42.62 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.661 0.267 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.481 HG23 ' N ' ' D' ' 29' ' ' ALA . 27.6 m -69.2 -42.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.481 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.79 -40.52 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.613 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.499 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.89 -42.52 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.87 -44.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 89.9 mt -64.19 -43.67 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.66 97.41 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.02 -42.81 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.95 -38.63 86.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.919 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.28 -41.86 85.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.872 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.78 -39.94 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.24 -44.44 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.506 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.5 -43.7 59.52 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.087 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.3 t90 -66.82 -45.94 76.72 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.563 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.92 -44.02 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.462 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.5 mt -65.6 -41.81 92.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.954 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.73 -42.73 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.467 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.755 0.312 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.3 -44.31 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.375 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.61 78.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.092 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.547 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -71.28 -40.88 70.64 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.453 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' D' ' 30' ' ' ALA . 24.5 t-20 -68.85 -46.66 67.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' ILE . 20.1 tt -65.26 -42.39 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 ' N ' HG23 ' A' ' 32' ' ' ILE . 81.6 mt -64.07 -43.84 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -45.52 95.03 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.51 -42.86 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.329 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.22 -40.97 95.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.579 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -58.12 -40.52 81.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.136 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.9 mt -59.88 -41.38 91.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.15 -47.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.168 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -66.22 -42.74 88.28 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.21 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.481 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.5 t90 -65.53 -40.92 93.46 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.64 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.82 -43.99 98.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.033 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.66 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.307 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.47 -40.68 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.804 179.591 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.29 -44.27 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.66 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.144 0.497 . . . . 0.0 110.224 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.24 -41.02 70.68 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.434 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.547 HD22 ' HB2' ' A' ' 30' ' ' ALA . 24.5 t-20 -68.82 -46.53 68.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.251 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.493 HG23 ' N ' ' B' ' 33' ' ' ILE . 20.1 tt -65.41 -42.31 93.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.692 -179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.493 ' N ' HG23 ' B' ' 32' ' ' ILE . 83.1 mt -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.531 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.28 -45.63 94.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.41 -43.02 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.021 0.439 . . . . 0.0 110.367 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.05 -40.95 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.11 -40.5 81.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.101 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.579 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.0 mt -60.03 -41.28 91.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.35 -47.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.108 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.9 mm? -66.3 -42.84 87.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.162 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.486 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.37 -40.93 94.16 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.038 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.563 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.77 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.368 -179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.5 -40.85 79.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.274 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.586 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.37 -44.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.356 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.64 78.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.14 0.495 . . . . 0.0 110.262 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.501 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -71.18 -40.99 70.91 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.505 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.88 -46.55 68.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.27 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.49 HG23 ' N ' ' C' ' 33' ' ' ILE . 20.1 tt -65.3 -42.38 93.68 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.669 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.49 ' N ' HG23 ' C' ' 32' ' ' ILE . 82.0 mt -64.07 -43.69 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.66 94.68 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.46 -43.0 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.247 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.04 -41.09 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -57.92 -40.78 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.003 0.43 . . . . 0.0 110.117 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.0 mt -59.87 -41.21 91.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.605 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.29 -47.92 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.157 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.488 HD22 ' N ' ' C' ' 40' ' ' LEU . 3.9 mm? -66.13 -42.72 88.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.287 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.473 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.6 t90 -65.57 -40.82 93.22 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.774 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.72 -44.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.567 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.75 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.323 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.41 -40.73 78.95 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.307 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.678 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.37 -44.32 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.74 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 0.0 110.233 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.423 ' HB2' HD22 ' A' ' 31' ' ' ASN . . . -71.19 -40.97 70.87 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.522 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . 0.501 HD22 ' HB2' ' C' ' 30' ' ' ALA . 24.5 t-20 -68.72 -46.66 68.35 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.485 HG23 ' N ' ' D' ' 33' ' ' ILE . 20.1 tt -65.28 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.724 0.297 . . . . 0.0 110.726 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.485 ' N ' HG23 ' D' ' 32' ' ' ILE . 82.7 mt -63.98 -43.83 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.54 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.35 -45.39 95.15 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.67 -42.89 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.98 -41.05 95.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.049 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.04 -40.65 81.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.9 mt -59.88 -41.28 91.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.523 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.36 -47.9 88.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.978 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.488 ' N ' HD22 ' D' ' 40' ' ' LEU . 3.9 mm? -66.22 -42.85 88.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.168 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.485 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.6 t90 -65.42 -40.92 93.93 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.715 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.75 -44.0 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.997 0.427 . . . . 0.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.568 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -63.64 -38.82 92.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.46 -40.75 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.569 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.967 0.413 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.26 -44.63 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.04 84.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.279 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB2' ' OD1' ' B' ' 31' ' ' ASN . . . -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.216 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' D' ' 30' ' ' ALA . 32.4 t30 -65.83 -42.15 90.94 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.341 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.45 -43.91 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.459 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.35 82.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.453 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.18 -44.6 93.68 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.411 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.26 -38.94 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.753 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.4 t60 -58.63 -41.23 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.44 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.8 mt -61.02 -38.85 87.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.09 -44.7 98.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.833 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.82 -43.55 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.535 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.507 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 89.4 t90 -68.51 -40.15 80.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.741 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.53 -43.33 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.5 -40.08 95.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.734 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.91 -43.82 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.459 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.507 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.079 0.466 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.19 -44.38 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' C' ' 31' ' ' ASN . . . -63.85 -35.47 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.238 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.423 ' OD1' ' HB2' ' A' ' 30' ' ' ALA . 32.8 t30 -65.92 -41.96 90.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.365 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.64 -43.76 93.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.45 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.417 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.65 94.08 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.16 -39.11 88.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.116 0.484 . . . . 0.0 109.788 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -58.56 -41.17 85.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.543 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.453 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.8 mt -61.11 -38.56 86.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.364 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 -44.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.921 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.9 -43.46 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.648 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.522 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 89.5 t90 -68.43 -40.21 81.27 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.44 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.96 -43.63 94.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.003 0.43 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.2 -44.56 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.593 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.83 83.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.549 ' HB2' ' OD1' ' D' ' 31' ' ' ASN . . . -63.87 -35.63 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.253 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . 0.484 ' OD1' ' HB2' ' B' ' 30' ' ' ALA . 33.1 t30 -65.89 -42.1 90.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.225 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.51 -43.89 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.495 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.34 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.439 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -44.5 93.8 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.33 -43.31 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.329 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.27 -38.96 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.825 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.509 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.2 t60 -58.62 -41.24 85.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.472 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.8 mt -60.9 -38.79 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.296 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.27 -44.45 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.962 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.04 -43.43 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.602 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.5 t90 -68.5 -40.15 80.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.51 -43.36 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.48 -40.22 95.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.671 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.82 -43.72 94.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.399 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.501 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.5 mtt-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.34 -44.54 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.526 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.96 84.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.264 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . . . -63.9 -35.49 80.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.192 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB2' ' C' ' 30' ' ' ALA . 31.8 t30 -66.03 -41.9 90.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.119 -0.633 . . . . 0.0 110.407 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.55 -43.87 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.49 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.416 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.68 94.13 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.19 -43.32 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.25 -38.99 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.506 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -58.71 -41.1 85.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.472 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.482 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.8 mt -61.05 -38.65 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.332 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.96 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.84 -43.5 79.37 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.4 t90 -68.41 -40.31 81.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.31 -43.52 97.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.45 -40.08 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 95.6 mtt-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.6 t . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.742 0.306 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.32 -46.49 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.03 77.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.789 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.25 -41.92 96.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.57 -43.99 96.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 83.6 mt -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -42.96 99.79 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.77 -43.13 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.52 -38.98 89.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -58.51 -41.39 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.183 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.21 -38.47 86.73 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.671 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.02 -45.37 95.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.928 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.69 -44.4 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.59 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -65.67 -39.27 91.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.9 -45.31 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.19 -39.5 92.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.904 0.383 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 85.8 m-20 -60.61 -45.13 95.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 59.2 ttm-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.612 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.707 0.289 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.23 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.503 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.73 88.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.751 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.02 -42.14 97.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.33 -44.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.577 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.2 mt -62.93 -43.76 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.08 -42.87 99.93 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.88 -43.03 97.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.438 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.64 -38.76 88.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.46 -41.46 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.231 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.4 mt -61.27 -38.4 86.59 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.9 -45.72 94.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.889 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -71.38 -44.41 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.578 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.462 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.74 -39.25 90.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.97 -45.34 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 110.456 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.14 -39.58 93.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.528 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 87.5 m-20 -60.58 -45.05 95.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.435 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 59.1 ttm-85 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.29 -46.56 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.57 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.74 88.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.12 77.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -63.99 -42.12 97.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.718 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.39 -44.07 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 83.1 mt -63.04 -43.67 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.83 99.91 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.79 -43.14 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.402 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.69 -38.88 89.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.633 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -58.47 -41.37 85.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.239 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.13 -38.53 86.71 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.98 -45.5 95.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.911 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.57 -44.47 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.59 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.469 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -65.53 -39.3 91.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.603 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.81 -45.53 96.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.03 -39.45 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.0 110.647 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 m-20 -60.86 -45.2 95.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 59.0 ttm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.344 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.684 0.278 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.39 -46.5 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.19 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -64.06 -42.02 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.597 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -43.95 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 83.6 mt -63.03 -43.79 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.97 99.98 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.81 -43.19 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.59 -38.69 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.353 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.52 -41.42 85.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.233 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.633 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.4 mt -61.1 -38.62 86.96 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.611 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.02 -45.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -71.54 -44.38 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.546 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.459 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.8 t90 -65.67 -39.26 91.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.599 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.95 -45.36 97.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.356 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.28 -39.54 92.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.629 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 88.1 m-20 -60.54 -45.06 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.541 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 59.1 ttm-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.649 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.708 0.29 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.84 -45.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.8 89.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.848 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.68 -41.97 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.405 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -43.06 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.4 mm -61.85 -43.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.82 -42.64 99.77 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.38 -43.46 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.28 -38.14 88.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -58.68 -41.74 86.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.02 -40.23 92.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.05 -44.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.638 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.64 -43.85 58.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.197 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 68.1 t90 -66.34 -47.39 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.357 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.5 tt -65.06 -39.8 86.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.27 -41.03 98.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.74 -43.69 94.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.467 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.837 0.351 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.82 -45.8 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.81 94.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.29 -45.67 90.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.64 -42.04 98.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.1 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.4 mm -61.95 -43.69 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.73 99.8 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.27 -43.46 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.365 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.18 -38.31 88.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.51 -41.8 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.93 -40.28 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.06 -44.56 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.63 -43.86 58.48 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.52 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 67.6 t90 -66.24 -47.35 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.431 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.5 tt -65.08 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.125 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.17 -41.09 97.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.95 -43.48 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.393 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.52 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.77 -45.95 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.67 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.775 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.05 98.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.383 . . . . 0.0 110.36 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.12 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.492 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -61.8 -43.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.533 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.74 99.8 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.34 -43.47 97.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.17 -38.25 88.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.19 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.68 -41.63 86.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.022 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.01 -40.35 93.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -44.55 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.544 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -43.81 58.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.227 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 67.7 t90 -66.35 -47.39 73.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.41 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.4 tt -64.91 -39.84 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.116 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.744 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.74 -43.66 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.518 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.927 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.739 0.304 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.87 -45.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.94 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.77 90.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.01 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -43.02 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -61.92 -43.72 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.515 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.66 -42.85 99.82 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.13 -43.5 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.19 -38.23 88.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.58 -41.74 86.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -61.1 -40.19 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.93 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.557 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.59 -43.83 58.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.528 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 67.7 t90 -66.4 -47.28 73.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.373 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.23 -39.46 85.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.47 -41.06 98.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -43.58 94.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.35 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.6 mtt-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.884 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.809 0.338 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.59 -48.3 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.531 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.76 84.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.514 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.45 -43.12 95.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.439 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.93 -43.39 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 96.8 mt -62.76 -42.69 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.391 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -47.84 64.79 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -65.37 -42.49 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.39 -42.29 98.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.57 -44.32 97.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.709 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -59.87 -40.07 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.644 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.21 -43.78 98.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.35 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.53 -41.93 65.3 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -68.82 -47.66 65.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.361 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.3 tt -65.05 -40.67 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 54.2 tp -62.95 -40.44 97.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.447 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.67 -33.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.608 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.313 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.786 0.327 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.56 -48.22 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.19 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.49 76.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.995 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.22 95.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.16 -43.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.405 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.9 mt -62.57 -42.74 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.27 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.46 -42.52 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.43 -42.1 98.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.46 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.3 t60 -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.759 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -59.85 -40.14 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.3 -43.69 98.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.388 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.4 -42.04 65.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.9 t90 -68.99 -47.61 65.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.284 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.2 tt -64.95 -40.9 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.937 0.399 . . . . 0.0 110.322 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 53.9 tp -62.78 -40.62 97.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.44 -33.88 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.472 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.789 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.834 0.349 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -48.19 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.87 84.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.94 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.28 -43.21 95.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.68 -43.47 98.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 96.8 mt -62.71 -42.68 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.9 -47.7 64.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.59 -42.49 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.55 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.48 -42.07 98.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -61.53 -44.42 97.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.839 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 0.9 OUTLIER -59.69 -40.15 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -178.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.21 -43.75 98.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.417 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.65 -41.95 64.91 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.46 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.85 -47.62 65.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.515 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.3 tt -65.01 -40.84 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 53.7 tp -62.84 -40.49 97.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.54 -33.93 74.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.472 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.286 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.805 0.336 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.75 -48.18 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.22 86.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.69 76.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.001 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.11 95.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mm -64.11 -43.18 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.589 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.8 mt -62.76 -42.74 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.25 61.55 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -65.25 -42.42 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.647 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.57 -42.16 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.682 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.448 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.3 t60 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 0.9 OUTLIER -59.79 -40.06 87.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.23 -43.84 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.291 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.35 -41.92 65.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.2 t90 -68.93 -47.73 65.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.276 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.2 tt -64.96 -40.8 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.267 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 54.0 tp -62.91 -40.48 97.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.405 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.58 -33.9 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.436 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.805 0.336 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.37 -44.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.14 95.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.53 -36.64 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.58 -38.63 91.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.95 -41.74 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.243 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.573 HG23 HD11 ' B' ' 38' ' ' LEU . 1.8 mp -61.37 -43.42 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.548 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.21 -55.95 26.79 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.283 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.8 mp -69.77 -43.79 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.576 0.227 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.2 -45.55 94.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.785 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.55 -40.58 92.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.646 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.2 mt -60.73 -39.58 89.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.41 -44.52 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.969 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.2 mm? -71.63 -43.06 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.22 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -69.3 -45.89 68.5 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.59 -43.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.253 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' N ' HG23 ' A' ' 42' ' ' ILE . 82.2 mt -65.4 -42.14 92.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.2 t0 -53.75 -34.92 60.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.704 0.288 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.53 -44.83 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.35 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.71 73.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.47 -38.67 92.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.1 -41.91 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.272 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' C' ' 38' ' ' LEU . 1.9 mp -61.31 -43.23 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.39 -55.87 27.37 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.258 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.567 HD12 ' N ' ' B' ' 35' ' ' ILE . 1.8 mp -69.97 -43.67 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 120.666 0.269 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.22 -45.69 93.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.706 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.75 91.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.043 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.3 mt -60.7 -39.59 89.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.237 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.17 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -71.59 -43.12 66.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.199 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -69.4 -45.73 68.56 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.64 -43.55 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.318 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.465 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.52 -42.09 92.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.0 t0 -53.95 -34.79 60.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.581 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.731 0.3 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.3 -44.87 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.18 95.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.64 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.449 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -38.76 92.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.14 -41.69 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.327 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.574 HG23 HD11 ' D' ' 38' ' ' LEU . 1.9 mp -61.4 -43.35 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.481 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.29 -55.91 27.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.229 -0.986 . . . . 0.0 111.324 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.558 ' N ' HD12 ' C' ' 35' ' ' ILE . 1.8 mp -69.96 -43.78 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.98 -45.78 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.798 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.7 91.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.092 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.3 mt -60.75 -39.45 88.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.65 99.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.093 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.463 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.2 mm? -71.58 -43.12 66.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.168 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -69.35 -45.78 68.59 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.65 -43.51 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.262 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' C' ' 42' ' ' ILE . 82.3 mt -65.47 -42.24 92.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.774 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.1 t0 -53.77 -34.96 60.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.314 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.766 0.317 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.38 -45.03 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.13 96.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.761 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.48 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.54 -38.73 92.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.97 -42.04 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' A' ' 38' ' ' LEU . 1.9 mp -61.18 -43.37 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.542 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.46 -55.77 27.94 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.266 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . 0.548 HD12 ' N ' ' D' ' 35' ' ' ILE . 1.8 mp -69.98 -43.74 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.03 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.805 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.646 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.57 -40.56 92.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.09 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.2 mt -60.72 -39.69 89.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.046 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.64 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.035 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.449 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.2 mm? -71.45 -43.11 67.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.256 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -69.45 -45.76 68.33 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.0 tt -63.58 -43.79 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.214 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.468 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.3 mt -65.27 -42.21 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.865 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.1 t0 -53.83 -34.93 60.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.249 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.71 -45.62 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.87 96.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -61.76 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.505 HD22 ' HB2' ' D' ' 30' ' ' ALA . 24.3 t-20 -65.12 -42.87 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.62 -44.67 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -64.57 -43.93 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.4 90.07 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.33 -42.91 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.004 0.431 . . . . 0.0 110.278 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -39.89 84.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -58.53 -40.6 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.4 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.05 -39.81 87.26 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.82 -44.03 93.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -73.48 -44.91 56.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.056 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.4 t90 -64.65 -39.38 93.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -46.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.613 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.45 -37.91 88.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.892 0.377 . . . . 0.0 110.62 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 95.2 m-20 -58.5 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.509 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.506 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 52.4 ttm-85 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.067 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.79 0.329 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.58 -44.92 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.17 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.628 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' C' ' 31' ' ' ASN . . . -62.51 -41.98 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 ' HB2' ' A' ' 30' ' ' ALA . 24.3 t-20 -66.26 -42.85 87.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.79 -44.32 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.656 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 94.0 mt -64.8 -43.91 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.3 -47.53 89.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.23 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.09 -40.21 84.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.36 -40.55 82.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.286 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.05 -43.98 93.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.4 -45.17 56.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.04 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.458 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.1 t90 -64.32 -39.48 94.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.68 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.52 -46.63 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.16 -37.6 87.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.412 . . . . 0.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.53 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 94.9 m-20 -58.85 -43.19 90.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 52.3 ttm-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.39 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.72 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -62.24 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' B' ' 30' ' ' ALA . 23.7 t-20 -65.68 -42.71 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.77 -44.88 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 94.2 mt -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.1 -47.61 88.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.18 -42.79 97.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.995 0.426 . . . . 0.0 110.177 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.348 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -58.75 -40.75 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.312 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.22 -39.4 86.49 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.14 -43.99 94.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.506 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.0 mm? -73.43 -44.76 57.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.104 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.3 t90 -64.78 -39.15 93.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.795 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.74 -46.78 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.579 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.11 -38.04 89.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.5 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 92.4 m-20 -58.47 -43.62 89.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.449 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.53 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 52.5 ttm-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.047 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.34 -45.08 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.18 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HB2' HD22 ' A' ' 31' ' ' ASN . . . -62.6 -42.74 99.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.649 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' C' ' 30' ' ' ALA . 23.7 t-20 -65.49 -43.01 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.47 -44.86 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.628 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 93.3 mt -64.28 -44.14 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.81 -47.88 87.45 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.18 -43.0 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.386 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.82 -39.87 82.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.482 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.6 -40.76 84.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.305 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.4 mt -60.01 -39.54 86.16 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.018 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.96 -44.08 93.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.501 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.36 -44.42 58.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.181 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.4 t90 -65.1 -39.36 93.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.64 -46.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.15 -37.79 88.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.996 0.427 . . . . 0.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.506 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 93.9 m-20 -58.64 -43.42 89.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.527 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 53.1 ttm-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.02 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.756 0.312 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.09 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.14 78.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.13 -41.59 97.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.87 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 86.6 mt -63.59 -43.47 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.38 98.14 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -42.92 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.81 -38.25 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.33 -41.46 84.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.962 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.63 -40.14 90.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.175 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.42 -44.42 99.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.464 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.36 -43.76 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.6 t90 -67.93 -46.7 70.79 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.667 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.0 tt -64.65 -38.77 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.125 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.79 -42.14 98.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.655 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.3 m-20 -60.7 -42.69 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.28 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.677 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.74 0.305 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.87 -45.28 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.08 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.614 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.03 -41.64 97.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.86 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 87.1 mt -63.46 -43.66 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.94 -42.93 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 0.0 110.111 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.82 -38.21 84.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.837 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.31 -41.66 84.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.961 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.2 mt -60.47 -40.26 90.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.16 -44.46 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.612 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.31 -43.99 63.37 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.255 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.3 t90 -67.7 -46.81 71.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.51 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.0 tt -64.7 -38.79 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.8 -42.19 98.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.58 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.448 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.4 m-20 -60.73 -42.7 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.187 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.663 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.91 -45.29 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.95 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.656 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.2 -41.66 96.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 87.0 mt -63.52 -43.64 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.28 -44.42 98.11 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.88 -43.01 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.116 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.74 -38.21 84.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.23 -41.64 84.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.982 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.66 -40.23 91.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.102 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.53 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.26 -43.79 63.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.383 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.5 t90 -67.83 -46.8 70.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.656 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.529 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.0 tt -64.65 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.116 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.79 -42.24 98.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.3 m-20 -60.75 -42.73 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.81 -45.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.454 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.0 93.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.2 -41.54 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.58 -43.87 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 86.7 mt -63.49 -43.58 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -44.34 98.18 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.0 -42.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 110.07 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.77 -38.22 84.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.72 84.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.1 mt -60.57 -40.22 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -44.49 99.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.515 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.3 -44.03 63.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.349 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.65 -46.85 71.23 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.54 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.0 tt -64.7 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.78 -42.14 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.3 m-20 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 5.8 tmm_? . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.093 0.473 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.18 -46.68 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.376 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.9 88.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.01 -40.73 64.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.485 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.18 -39.92 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.06 -43.18 95.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 51.4 mm -62.51 -45.8 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.28 54.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.13 -42.42 95.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.183 0.516 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.86 -41.51 91.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.445 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.352 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.571 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.9 mt -60.32 -39.96 88.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.545 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.48 -45.12 94.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.345 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -72.39 -44.86 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.29 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 81.0 t90 -64.97 -38.3 90.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.91 -44.25 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.49 -43.69 96.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.46 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.79 -39.97 93.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.433 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.121 0.486 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.47 -46.65 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.328 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.57 88.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.449 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -40.51 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.455 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.4 -39.9 95.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.81 -43.48 96.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 51.4 mm -62.43 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.919 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.36 54.57 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.03 -42.42 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.386 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.86 -41.42 91.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.382 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.59 -39.6 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -60.32 -40.07 89.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.53 -45.19 94.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -72.43 -44.88 61.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.375 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.5 t90 -64.75 -38.42 90.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.92 -44.33 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.49 -43.46 96.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.412 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.04 -40.05 94.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.502 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.456 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.22 -46.74 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.77 87.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.71 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.46 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.32 -39.97 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.36 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.76 -43.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 51.3 mm -62.36 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -51.29 55.02 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.18 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.02 -42.4 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.226 0.536 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.08 -41.3 92.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.66 -39.53 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -60.25 -40.0 88.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.624 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.62 -45.09 94.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.318 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.4 -45.04 61.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 81.1 t90 -64.8 -38.39 90.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.97 -44.25 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.885 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.53 -43.43 97.16 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.46 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.9 -40.2 94.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.508 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.19 -46.58 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.305 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.78 88.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.27 -40.08 64.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.75 -39.67 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.18 -43.4 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 51.6 mm -62.41 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.917 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.65 -51.33 54.87 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.14 -42.34 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.04 -41.21 91.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.571 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.78 -39.4 80.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.337 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.47 -39.9 89.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.567 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.67 -45.21 94.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.242 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.28 -45.07 61.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.8 t90 -64.64 -38.51 91.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.87 -44.35 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.5 96.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.518 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.94 -40.16 94.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.445 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.862 0.363 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 29' ' ' ALA . 23.3 m -67.93 -41.59 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.53 -39.16 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.19 98.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.628 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.99 -42.71 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.35 -44.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 91.2 mt -63.57 -43.92 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -45.25 96.98 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.46 -42.9 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.138 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.1 -38.55 83.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.002 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.32 -41.33 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.2 mt -60.7 -39.77 89.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.283 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.57 -43.28 60.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.243 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.8 t90 -67.69 -47.17 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.8 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.061 0.458 . . . . 0.0 110.215 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.84 -43.2 99.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.76 -39.49 94.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.924 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' B' ' 29' ' ' ALA . 23.4 m -67.94 -41.79 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.596 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.42 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.643 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.77 -42.81 97.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.3 -44.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.447 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -63.61 -43.85 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.3 96.88 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -42.84 97.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -38.76 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.98 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -58.33 -41.37 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.627 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.3 mt -60.6 -39.87 89.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.71 -44.55 98.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.386 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 50.7 mt -73.51 -43.24 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.303 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.9 t90 -67.68 -47.24 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.352 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.627 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -63.69 -36.76 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.214 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.82 -43.21 99.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.681 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.4 94.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 -179.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' C' ' 29' ' ' ALA . 23.1 m -68.12 -41.52 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.669 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.56 -38.99 93.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.38 98.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.91 -42.9 97.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.656 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.17 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -63.51 -43.96 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.406 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.33 96.8 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.54 -42.88 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.411 . . . . 0.0 110.035 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -38.59 83.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.036 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.41 -41.26 84.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.238 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.616 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.6 -39.98 90.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.61 -44.56 98.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.374 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.58 -43.34 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.189 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.8 t90 -67.52 -47.26 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.2 tt -63.84 -36.73 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 110.168 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.8 -43.14 99.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.742 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.5 94.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.966 0.412 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.417 HG23 ' N ' ' D' ' 29' ' ' ALA . 22.7 m -68.01 -41.73 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.585 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.417 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.508 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.89 -42.83 97.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.18 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.4 mt -63.67 -43.78 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.29 96.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.48 -42.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.905 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.23 -41.37 83.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.633 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.3 mt -60.5 -39.94 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.56 -44.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.354 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.68 -43.2 60.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.297 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -67.45 -47.31 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.633 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -63.75 -36.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.09 0.472 . . . . 0.0 110.265 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.74 -43.18 99.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.741 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.87 -39.42 94.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 -179.782 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.973 0.416 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.673 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.8 98.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.392 . . . . 0.0 110.652 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -42.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.36 -43.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.89 -45.16 94.85 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.96 -43.05 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.48 -38.17 86.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.047 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.38 -41.67 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.917 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.6 mt -61.64 -39.49 91.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.114 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.87 -44.61 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.553 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -74.15 -46.23 43.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.381 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 66.0 t90 -63.68 -46.7 84.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.511 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.8 tt -65.31 -37.81 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.134 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.15 -42.73 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 64.7 t0 -60.73 -43.97 97.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.29 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 24.7 mmt85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.633 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.98 -43.71 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.19 84.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.577 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.91 98.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -64.39 -42.57 96.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.666 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.6 -42.82 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.443 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.41 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.576 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.02 -45.18 94.6 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.0 -42.91 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.53 -41.67 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.845 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.54 -39.44 91.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.44 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.56 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.05 -46.52 42.72 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.9 t90 -63.44 -46.7 85.09 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.673 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.8 tt -65.25 -37.83 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.085 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.24 -42.78 99.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.579 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 64.7 t0 -60.7 -43.92 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 110.269 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 24.8 mmt85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.584 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.85 -43.82 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.18 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -64.53 -42.56 95.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.7 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.369 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.9 mm -62.33 -43.9 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.614 -179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -45.28 94.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.94 -42.91 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.979 0.419 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.65 -37.99 86.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.627 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -41.63 86.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.941 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -61.52 -39.52 91.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.1 -44.45 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.496 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 tp -74.19 -46.42 42.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.312 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 66.3 t90 -63.58 -46.62 85.02 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.8 tt -65.18 -37.85 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.089 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.23 -42.64 99.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.441 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 64.8 t0 -60.78 -43.84 97.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 0.0 110.274 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 24.7 mmt85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.362 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.96 -43.69 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.446 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.14 84.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.76 97.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -64.34 -42.64 96.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.71 -42.85 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.9 mm -62.36 -43.84 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.583 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.06 -45.07 94.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.13 -42.84 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.47 -38.21 86.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.025 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.6 -41.64 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.627 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -61.55 -39.44 91.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.03 -44.42 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.48 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -74.27 -46.42 41.47 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 66.3 t90 -63.45 -46.72 84.96 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.554 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.8 tt -65.22 -37.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.095 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.463 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.0 t0 -60.8 -43.92 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.441 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 24.8 mmt85 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.618 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.07 0.462 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.44 -43.95 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.51 74.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.6 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.92 -44.46 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.532 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.529 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.3 mt -61.9 -42.67 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.13 -44.41 83.7 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.72 -43.14 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.59 -42.61 99.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.522 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.13 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.4 mt -60.19 -39.16 85.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.74 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.72 -45.23 99.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.247 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' C ' HH22 ' B' ' 45' ' ' ARG . 85.3 mt -67.55 -43.46 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.477 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.9 t90 -68.59 -37.76 80.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.323 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.96 -46.1 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.32 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.385 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -50.18 -45.32 53.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.513 HH22 ' C ' ' D' ' 40' ' ' LEU . 41.0 ttm180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.987 0.423 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.37 -44.13 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.65 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.48 92.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.786 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.69 -42.72 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.521 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.9 mt -62.07 -42.69 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.56 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.36 83.37 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 mm -66.79 -42.98 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.63 -42.68 99.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.53 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -61.05 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.4 mt -60.11 -39.19 85.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.795 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.67 -45.22 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.26 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.41 ' C ' HH22 ' C' ' 45' ' ' ARG . 85.8 mt -67.5 -43.77 80.09 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.341 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.5 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.8 t90 -68.43 -37.66 80.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.04 -45.99 94.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -38.38 90.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.293 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -50.15 -45.32 53.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.883 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.514 HH22 ' C ' ' A' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.9 t . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 121.064 0.459 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.4 -44.01 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -49.53 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.479 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.68 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.84 -44.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.508 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 89.8 mt -62.03 -42.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.33 -44.3 84.66 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.76 -43.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.762 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.75 -42.69 99.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.491 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -60.89 -43.23 98.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.4 mt -60.29 -39.28 86.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -45.12 99.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.538 ' C ' HH22 ' D' ' 45' ' ' ARG . 85.9 mt -67.46 -43.64 80.56 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.335 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.496 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.72 80.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.89 -46.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.25 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -50.16 -45.2 53.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.906 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.41 HH22 ' C ' ' B' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.018 0.437 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.43 -44.06 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.514 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.57 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.6 95.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.62 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.413 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.0 mt -61.92 -42.65 95.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.41 84.15 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.68 -43.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.704 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.73 -42.77 99.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.43 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.552 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.95 -43.2 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.785 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.4 mt -60.24 -39.0 85.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.86 -45.25 99.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.274 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.513 ' C ' HH22 ' A' ' 45' ' ' ARG . 85.4 mt -67.44 -43.68 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.491 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.67 80.12 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.325 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.95 -46.18 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.362 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -50.18 -45.2 53.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.87 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.538 HH22 ' C ' ' C' ' 40' ' ' LEU . 41.1 ttm180 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.701 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.674 0.274 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 29' ' ' ALA . 24.0 m -68.43 -42.06 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.77 -38.78 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.579 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -61.83 -41.74 98.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.411 HD22 ' HB2' ' D' ' 30' ' ' ALA . 18.7 t-20 -64.77 -43.44 93.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.22 -44.12 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -64.52 -43.71 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.31 95.65 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.93 -42.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.132 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.82 -38.05 84.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.699 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.53 -42.1 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.041 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.5 mt -61.17 -39.83 91.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.403 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.1 -44.75 59.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.266 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.0 t90 -66.14 -45.78 79.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -64.32 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.048 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 42.5 mt -64.64 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.438 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' B' ' 45' ' ' ARG . 91.6 m-20 -61.32 -36.72 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' D' ' 44' ' ' ASP . 17.2 mmm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.404 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.767 0.318 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 29' ' ' ALA . 24.5 m -68.29 -42.2 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.922 0.392 . . . . 0.0 110.581 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.428 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.74 -38.72 92.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.612 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' C' ' 31' ' ' ASN . . . -61.86 -41.83 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.377 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' A' ' 30' ' ' ALA . 18.8 t-20 -64.77 -43.5 93.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.1 -44.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 110.494 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.453 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.48 -43.74 96.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -45.1 95.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -64.1 -42.64 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.426 . . . . 0.0 110.037 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.75 -37.95 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.845 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.624 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.6 -42.24 87.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.944 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.5 mt -61.13 -39.82 91.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.4 -44.31 99.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.456 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -73.18 -44.93 59.11 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.107 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -65.99 -45.74 80.5 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -64.43 -41.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.919 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.417 ' N ' HG23 ' B' ' 42' ' ' ILE . 42.6 mt -64.67 -38.44 91.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.41 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.443 ' CG ' ' NH2' ' C' ' 45' ' ' ARG . 91.9 m-20 -61.36 -36.74 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.529 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 44' ' ' ASP . 17.3 mmm180 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.757 0.313 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' C' ' 29' ' ' ALA . 24.1 m -68.35 -42.15 84.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.961 0.41 . . . . 0.0 110.529 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.69 -38.95 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.515 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.75 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . 0.48 HD22 ' HB2' ' B' ' 30' ' ' ALA . 18.5 t-20 -64.79 -43.53 92.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.695 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.95 -44.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.3 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.34 95.71 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.92 -42.72 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.131 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.93 -37.91 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.803 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -42.15 87.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.96 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.624 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.16 -39.79 91.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.109 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.31 -44.36 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.463 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.532 ' O ' HD13 ' C' ' 40' ' ' LEU . 0.2 OUTLIER -73.06 -44.99 59.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.182 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 69.8 t90 -65.97 -45.75 80.57 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -64.33 -41.21 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.015 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 42.6 mt -64.66 -38.43 90.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' D' ' 45' ' ' ARG . 91.8 m-20 -61.22 -36.81 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NH2' ' CG ' ' B' ' 44' ' ' ASP . 17.1 mmm180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.534 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 29' ' ' ALA . 24.2 m -68.37 -42.03 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.432 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.83 -38.89 92.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.494 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.411 ' HB2' HD22 ' A' ' 31' ' ' ASN . . . -61.82 -41.74 98.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.457 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.69 -43.5 93.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.08 -44.19 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.483 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.1 mt -64.64 -43.55 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.34 95.59 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.95 -42.78 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.87 -37.88 83.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.695 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.69 -42.12 87.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.949 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -61.14 -39.93 91.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.415 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 40' ' ' LEU . 0.2 OUTLIER -73.09 -44.89 59.85 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.1 t90 -66.08 -45.81 79.94 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -64.3 -41.19 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.931 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.413 ' N ' HG23 ' D' ' 42' ' ' ILE . 43.6 mt -64.59 -38.55 91.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.447 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 45' ' ' ARG . 92.5 m-20 -61.23 -36.63 80.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.667 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' C' ' 44' ' ' ASP . 17.3 mmm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.782 0.325 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.25 -45.06 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.6 97.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.89 -42.2 97.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.09 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.82 -44.02 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -47.86 82.64 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.6 -42.68 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.211 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.47 -40.27 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.112 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -57.78 -40.99 81.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.082 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.38 -39.55 87.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.978 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.61 -44.7 99.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.338 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.3 -44.32 59.31 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.278 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.39 -47.14 74.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.363 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.0 tt -64.56 -33.84 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.47 -43.95 97.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.267 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -64.27 -40.9 96.91 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.708 0.29 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.44 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.747 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.8 97.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.73 -42.23 97.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.77 -43.05 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.87 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.58 84.47 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.73 -42.66 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.888 0.375 . . . . 0.0 110.12 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.54 -40.16 90.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.132 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.05 81.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.121 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.39 -39.53 87.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.56 -44.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.281 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.3 mp -73.26 -44.33 59.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.269 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.5 t90 -66.4 -47.14 74.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.467 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.9 tt -64.51 -33.75 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.859 0.361 . . . . 0.0 110.256 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.32 -44.13 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -64.09 -40.81 97.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.678 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.512 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.744 0.306 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.12 -45.32 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.9 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.88 97.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.78 -42.16 97.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.12 96.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.8 mm -62.68 -44.06 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.56 84.91 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.65 -42.71 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.206 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.6 -40.01 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.108 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.597 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.83 -41.08 81.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.165 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.4 -39.6 87.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.49 -44.71 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.316 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.483 ' N ' HD12 ' C' ' 40' ' ' LEU . 11.3 mp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.192 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.35 -47.16 74.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.463 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.9 tt -64.44 -33.82 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.853 0.359 . . . . 0.0 110.214 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.26 -44.12 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.698 0.285 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.3 -45.28 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.82 95.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.66 97.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.758 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.76 -42.09 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.647 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.83 -43.12 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.8 mm -62.92 -43.91 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.68 83.49 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.57 -42.78 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.957 0.408 . . . . 0.0 110.189 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.52 -39.95 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.1 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.096 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.0 mt -60.62 -39.36 87.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.6 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.309 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.478 HD12 ' N ' ' D' ' 40' ' ' LEU . 11.3 mp -73.28 -44.43 59.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.318 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -66.36 -47.04 74.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.496 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.9 tt -64.55 -33.85 65.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.188 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.27 -44.09 97.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.26 -40.88 96.91 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.644 0.259 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 29' ' ' ALA . 14.8 p -69.55 -42.23 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.256 0.551 . . . . 0.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -61.53 -41.33 97.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.671 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.32 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.624 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.61 -42.86 95.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.26 -44.43 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.375 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 89.6 mt -63.96 -44.12 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.28 94.16 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.58 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.44 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -57.72 -41.95 82.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.5 mm -60.62 -45.88 96.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.697 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.97 -46.34 44.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 68.0 t90 -62.13 -48.09 81.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.278 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.6 tt -65.79 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.227 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 50.5 tp -63.07 -42.31 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.776 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.72 -44.72 90.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.549 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.694 179.768 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.501 HG13 ' N ' ' B' ' 29' ' ' ALA . 14.8 p -69.62 -42.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.123 0.487 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.501 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -61.49 -41.07 96.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.79 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.36 99.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.533 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.6 -42.93 95.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -44.4 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.7 mt -64.13 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.36 -46.42 93.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.51 -43.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.176 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.27 -38.05 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -57.71 -41.78 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.9 mt -60.7 -40.07 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -60.66 -45.91 96.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.727 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.93 -46.19 45.83 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 68.0 t90 -62.14 -48.22 81.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.248 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.573 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.7 tt -65.74 -40.43 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.243 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.01 -42.33 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.76 -44.65 90.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.506 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 179.735 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.681 0.277 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.511 HG13 ' N ' ' C' ' 29' ' ' ALA . 14.8 p -69.72 -42.21 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.141 0.496 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.511 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -61.46 -41.33 97.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.38 99.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.52 -42.9 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -44.38 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -64.09 -44.01 97.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.31 -46.56 93.65 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.52 -43.03 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.27 -38.1 82.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.04 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -57.89 -41.68 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.67 -40.22 91.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mm -60.78 -45.8 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.687 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.83 -46.18 46.63 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.181 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 67.7 t90 -62.26 -48.18 81.06 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.218 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.6 tt -65.65 -40.64 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.137 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 50.2 tp -62.98 -42.43 99.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.58 -44.66 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.615 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.793 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.507 HG13 ' N ' ' D' ' 29' ' ' ALA . 14.9 p -69.66 -42.1 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.128 0.49 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.507 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.683 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -64.63 -42.85 95.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.29 -44.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.7 mt -64.06 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.38 -46.41 93.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.42 -43.23 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.32 -38.05 82.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -57.93 -41.65 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.63 -40.16 90.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.055 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.7 mm -60.67 -45.83 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.713 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.97 -46.29 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 67.7 t90 -62.17 -48.23 80.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.578 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.67 -40.46 87.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.175 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 50.5 tp -63.0 -42.44 99.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.7 -44.68 90.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.496 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.628 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.767 0.317 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 29' ' ' ALA . 9.2 p -70.81 -43.46 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 0.0 110.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -58.61 -46.26 87.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.673 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.23 96.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.45 -43.68 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.32 -44.19 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.446 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 95.2 mt -64.81 -43.7 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -45.29 93.24 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.78 -42.73 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.021 0.439 . . . . 0.0 110.053 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.76 83.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.57 -41.59 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.87 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -61.11 -39.39 89.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.93 -49.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.33 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.15 -44.16 72.86 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.2 t90 -65.88 -36.65 84.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 111.022 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.61 -42.82 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.15 -40.03 92.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 93.6 m-20 -64.19 -30.85 71.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.199 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 29' ' ' ALA . 9.2 p -70.79 -43.45 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.241 0.543 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.528 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -58.71 -46.21 87.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -40.14 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.56 -43.7 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.28 -44.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.338 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.1 mt -64.81 -43.81 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.3 93.42 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.65 -42.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.074 0.464 . . . . 0.0 110.031 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.96 -37.69 83.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.999 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.5 -41.7 85.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.812 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.599 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.06 -39.45 89.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.88 -49.8 79.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.314 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.08 -44.33 72.75 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.4 t90 -65.77 -36.7 84.3 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.668 0.27 . . . . 0.0 110.931 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.76 -42.69 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.18 -40.04 92.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 93.2 m-20 -64.29 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.26 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.784 0.326 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' C' ' 29' ' ' ALA . 9.3 p -70.57 -43.58 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -58.53 -46.33 87.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.585 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.21 96.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.52 -43.62 93.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.3 -44.24 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.397 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 95.6 mt -64.88 -43.76 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.45 -45.41 93.3 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.72 -42.77 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.063 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.74 83.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.4 -41.56 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.906 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -61.29 -39.39 90.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.87 -49.85 79.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.221 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.1 -44.19 72.96 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.1 t90 -65.93 -36.64 83.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.695 0.283 . . . . 0.0 110.9 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.8 mt -61.73 -42.7 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.18 -40.15 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.286 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 94.5 m-20 -64.16 -30.89 71.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' D' ' 29' ' ' ALA . 9.2 p -70.73 -43.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.394 0.616 . . . . 0.0 110.28 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -58.75 -46.21 87.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.596 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.48 -43.76 93.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.18 -44.31 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.1 mt -64.8 -43.76 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.34 93.41 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.9 -42.7 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.91 -37.78 83.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.978 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.946 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.9 mt -61.17 -39.39 89.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.83 -49.89 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.327 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.18 -44.05 72.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.2 t90 -65.92 -36.66 83.99 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 110.955 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.7 -42.52 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.36 -40.13 93.14 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.222 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 93.4 m-20 -64.08 -31.04 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 61.0 ttt85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.31 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 74.0 t . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.745 0.307 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 89.9 t -62.78 -45.63 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.25 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.15 82.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.577 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.94 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.251 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 27' ' ' VAL . 3.8 p-10 -65.69 -39.95 91.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.741 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.484 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.94 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -45.25 89.19 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.2 -42.99 97.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.96 -40.94 95.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.57 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.47 -40.87 83.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.14 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.62 -39.18 87.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.25 -44.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.942 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.1 mm? -73.53 -44.06 58.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.49 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.2 t90 -67.41 -45.34 76.43 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.8 tt -61.87 -38.83 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.396 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -62.04 -43.68 98.31 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.106 -179.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.852 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.46 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 74.2 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 86.8 t -62.69 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.6 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.02 65.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 27' ' ' VAL . 3.8 p-10 -65.64 -40.04 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.711 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.51 -42.92 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.492 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.03 -44.12 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.33 88.3 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.17 -42.91 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.08 -40.94 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.43 -40.92 83.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.57 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -60.57 -39.3 87.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.11 -44.22 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.937 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.472 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -73.46 -44.05 58.92 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.502 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.0 t90 -67.35 -45.37 76.56 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -61.88 -38.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.325 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.95 -43.71 98.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.134 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.53 -41.22 97.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.676 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.449 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 72.5 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.725 0.298 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 89.5 t -62.96 -45.58 98.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.18 82.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.618 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.88 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.269 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' C' ' 27' ' ' VAL . 3.8 p-10 -65.58 -40.18 92.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.5 -42.79 97.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.93 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.49 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.15 -45.12 89.14 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.12 -42.99 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.423 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 tp -60.93 -40.96 95.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.21 -41.29 83.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.105 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.9 mt -60.42 -39.15 86.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -44.25 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.871 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.484 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.1 mm? -73.58 -43.93 58.53 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.494 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.46 -45.32 76.3 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -61.85 -38.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.411 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.543 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -43.74 98.19 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.035 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.53 -41.25 97.06 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.738 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 70.9 t . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.783 0.325 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 89.2 t -62.67 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.246 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.1 82.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.72 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.344 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' D' ' 27' ' ' VAL . 3.8 p-10 -65.75 -40.14 91.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.41 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.08 -45.16 89.13 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.18 -42.86 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.07 -41.02 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.4 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.68 -39.29 87.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.861 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.467 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.61 -43.97 58.27 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.48 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.1 t90 -67.45 -45.21 76.65 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.548 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -62.02 -38.83 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.442 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.548 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -62.0 -43.68 98.33 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.49 -41.2 96.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.688 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 27' ' ' VAL . 91.0 t -61.25 -44.83 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.44 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.03 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 93.2 m-20 -63.66 -42.66 98.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.7 mt -62.17 -43.5 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.891 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.25 99.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 39' ' ' ILE . 80.2 mt -61.72 -37.33 83.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.601 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -42.57 87.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.922 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -60.61 -39.82 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 36' ' ' LEU . 69.1 mt -59.34 -49.42 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.849 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -70.8 -43.38 68.78 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.479 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.23 -48.22 71.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 14.2 tt -65.47 -39.74 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -41.37 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.647 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 65.7 t0 -58.34 -47.93 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 90.6 mtt180 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.4 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.4 ' N ' HG23 ' B' ' 27' ' ' VAL . 91.0 t -61.12 -44.95 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.36 84.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.12 93.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.72 -42.52 97.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.15 -43.19 95.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.5 mt -62.12 -43.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.45 99.78 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -43.23 97.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.117 0.484 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD23 HD12 ' B' ' 39' ' ' ILE . 80.4 mt -61.7 -37.4 84.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.018 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.32 -42.21 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.601 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.75 -40.08 91.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.464 HD12 HD23 ' B' ' 36' ' ' LEU . 69.1 mt -59.17 -49.61 82.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.699 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.538 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.1 mp -70.52 -43.59 69.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.569 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.2 t90 -66.21 -48.17 71.48 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.636 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.1 tt -65.47 -39.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.42 . . . . 0.0 109.981 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -41.3 97.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.46 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 65.6 t0 -58.18 -48.25 80.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 90.8 mtt180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.34 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.324 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.6 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.476 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.95 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.12 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.09 -43.56 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.24 99.72 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.88 -43.18 97.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.28 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.474 HD23 HD12 ' C' ' 39' ' ' ILE . 80.5 mt -61.69 -37.28 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.067 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.43 -42.41 87.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.895 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.5 mt -60.73 -39.87 90.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . 0.474 HD12 HD23 ' C' ' 36' ' ' LEU . 69.3 mt -59.18 -49.6 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.675 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' C' ' 40' ' ' LEU . 10.2 mp -70.85 -43.43 68.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.46 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.552 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.528 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.1 tt -65.37 -39.59 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 110.073 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 6.0 tt -62.17 -41.17 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 65.9 t0 -58.38 -48.1 81.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.134 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.46 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 90.8 mtt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.295 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.3 -44.93 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.55 84.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.431 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -61.49 -39.83 92.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.78 -42.64 97.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.729 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.18 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.416 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.2 mt -62.16 -43.44 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -42.37 99.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.82 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 110.196 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.449 HD23 HD12 ' D' ' 39' ' ' ILE . 80.3 mt -61.66 -37.51 84.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.081 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.549 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.52 -42.09 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.89 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . 0.449 HD12 HD23 ' D' ' 36' ' ' LEU . 68.8 mt -59.14 -49.56 82.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.755 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.543 HD12 ' N ' ' D' ' 40' ' ' LEU . 10.2 mp -70.73 -43.38 69.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.513 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.3 t90 -66.22 -48.21 71.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.522 HG22 ' O ' ' D' ' 38' ' ' LEU . 14.1 tt -65.51 -39.62 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.058 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -41.32 98.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.539 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.6 t0 -58.15 -48.26 80.82 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.077 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 90.7 mtt180 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.77 -8.45 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.33 -42.04 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.38 -44.41 97.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -154.78 129.05 8.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.3 150.04 50.94 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.307 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.37 -24.29 50.22 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.307 2.004 . . . . 0.0 112.23 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -62.97 -42.37 99.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.469 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.432 HG22 ' S ' ' A' ' 100' ' ' A2Y . 75.6 t -63.08 -46.41 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.561 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.44 -45.18 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.515 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.02 95.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.43 82.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.854 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -63.97 -41.91 97.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.484 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.34 -42.92 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.07 -43.74 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.24 -42.5 99.31 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.26 -43.41 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.909 0.385 . . . . 0.0 110.511 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -38.97 90.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.038 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.6 t60 -58.72 -41.18 85.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.081 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -61.56 -38.06 86.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.96 -45.69 94.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 119.388 -0.925 . . . . 0.0 109.784 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -71.19 -44.88 64.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.805 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.1 t90 -66.33 -38.7 88.26 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.6 0.238 . . . . 0.0 110.874 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.6 -42.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.22 -42.51 91.15 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.23 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 45.3 t0 -62.35 -38.98 91.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.93 0.395 . . . . 0.0 110.178 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 20.5 mmm180 -64.74 -28.11 69.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.56 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.22 21.68 8.64 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.14 162.29 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.528 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.454 -179.758 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.8 p30 -75.68 -8.5 56.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -62.3 -42.02 99.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -154.6 129.11 9.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.084 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.19 149.97 51.1 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.418 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.43 -24.14 49.99 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.336 2.024 . . . . 0.0 112.183 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.527 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.4 mp -63.13 -42.32 99.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.501 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.22 -46.33 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.551 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.49 -45.14 96.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.3 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.5 81.61 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.833 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.98 -41.86 97.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.394 . . . . 0.0 110.563 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.32 -42.94 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.557 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.26 -43.61 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.473 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.47 99.13 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.21 -43.38 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.17 -38.86 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.5 t60 -58.74 -41.18 85.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.95 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.0 mt -61.63 -38.06 86.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.98 -45.56 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.92 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -71.25 -44.82 64.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.805 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.472 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.1 t90 -66.29 -38.77 88.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.0 110.873 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.59 -42.27 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -59.02 -42.5 90.31 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.358 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.445 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 45.3 t0 -62.42 -39.0 91.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.894 0.378 . . . . 0.0 110.161 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 20.6 mmm180 -64.71 -28.07 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.84 -42.21 99.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.579 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.34 21.72 8.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -45.19 162.38 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.441 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.69 -8.36 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.613 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.492 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.43 -44.44 97.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.73 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t -154.66 129.11 9.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.042 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -86.22 149.96 50.99 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.329 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.46 -24.24 49.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.419 2.08 . . . . 0.0 112.119 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.515 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -63.06 -42.17 99.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.474 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.22 -46.59 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.31 -45.11 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.558 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.13 95.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.69 81.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.795 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.589 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.3 -42.97 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -62.14 -43.79 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.481 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.2 -42.41 99.38 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.39 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.21 -38.79 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.039 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.5 t60 -58.69 -41.22 85.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.072 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.61 -38.11 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.81 -45.84 94.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.06 -44.87 64.88 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.461 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.0 t90 -66.42 -38.62 87.84 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.549 0.214 . . . . 0.0 110.844 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.53 -42.38 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.96 -42.71 90.55 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.299 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.34 -38.93 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.032 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.445 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 20.6 mmm180 -64.7 -28.21 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.001 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.74 -42.31 99.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.572 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.2 21.69 8.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.2 162.34 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.474 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.477 -179.805 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -75.67 -8.32 56.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.63 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -62.52 -42.01 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.428 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.43 -44.34 97.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.749 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -154.78 129.15 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.066 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -86.3 150.07 51.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.6 -24.05 48.86 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.354 2.036 . . . . 0.0 112.14 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.512 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.5 mp -63.23 -42.24 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.391 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.2 -46.4 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.552 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.38 -45.29 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.04 95.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.59 81.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -63.9 -41.91 97.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.349 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.22 -42.97 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.633 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -62.06 -43.79 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.46 99.31 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.4 -43.33 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -39.0 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.097 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.6 t60 -58.66 -41.22 85.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.995 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.0 mt -61.44 -38.15 86.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -45.66 94.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.822 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.2 -44.83 64.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.477 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.0 t90 -66.4 -38.73 88.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.603 0.24 . . . . 0.0 110.872 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -42.21 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.27 -42.41 91.14 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.236 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.479 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 45.7 t0 -62.45 -39.0 91.94 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.11 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -64.64 -28.05 69.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.21 21.82 8.45 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -45.29 162.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.484 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.222 -0.39 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.432 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.432 ' S ' HG22 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.68 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.367 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.71 -19.18 64.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.0 -43.25 99.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.722 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 t -103.26 98.02 8.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.981 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.58 151.33 87.15 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.34 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.23 -26.92 56.44 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.478 2.118 . . . . 0.0 111.965 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.96 -40.76 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.31 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.68 -48.94 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.778 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 27.5 m -69.03 -42.59 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.532 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.85 -40.55 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.28 99.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.574 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.85 -42.39 94.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.05 -44.12 95.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.449 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.1 mt -64.14 -43.67 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -44.8 97.26 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.01 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 0.0 110.125 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.02 -38.47 86.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.887 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.22 -41.96 85.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.825 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.584 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.98 -39.86 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.03 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -44.33 99.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.518 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.56 -43.51 59.69 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.137 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.3 t90 -66.98 -45.86 76.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.575 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.4 tt -64.99 -44.11 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.416 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' N ' HG23 ' A' ' 42' ' ' ILE . 83.0 mt -65.49 -41.99 92.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.912 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.64 -42.72 99.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 110.454 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' PHE . 8.0 tpt180 -70.37 -20.04 62.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.8 tt -62.31 -43.43 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.958 0.408 . . . . 0.0 110.106 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -61.36 -44.97 96.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.1 m-85 -131.77 134.17 45.55 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.471 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.684 179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.7 -40.27 96.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.48 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.82 -19.12 64.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -62.03 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 43.8 t -103.17 97.96 7.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.53 151.34 87.25 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.366 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.4 -26.83 55.24 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.396 2.064 . . . . 0.0 111.839 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.97 -40.77 83.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.288 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.66 -48.88 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.806 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 29' ' ' ALA . 27.7 m -69.22 -42.38 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.47 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.0 -40.42 97.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.578 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.78 -42.52 95.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.628 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.01 -44.02 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 110.563 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.18 -43.88 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.88 97.21 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.83 -42.85 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.06 0.457 . . . . 0.0 110.173 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.11 -38.45 86.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.999 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.95 85.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.909 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.68 -40.06 90.75 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.059 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.512 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.37 -43.75 60.0 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.171 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -66.88 -45.87 76.72 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.576 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.495 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.02 -44.04 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.413 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.454 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.47 -42.0 92.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.01 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -62.58 -42.64 99.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' B' ' 48' ' ' PHE . 8.0 tpt180 -70.51 -19.83 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.694 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.624 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.8 tt -62.35 -43.43 98.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 110.036 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -61.31 -45.2 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.1 m-85 -131.68 134.34 45.83 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.449 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.685 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.49 -40.36 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.81 -19.13 64.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.03 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.775 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 44.0 t -103.08 97.95 7.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.071 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.6 151.44 87.14 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.277 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.36 -26.93 55.45 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.413 2.076 . . . . 0.0 111.821 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.94 -40.82 83.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.742 HG13 ' H3 ' ' A' ' 100' ' ' A2Y . 78.8 t -61.53 -49.11 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.815 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.476 HG23 ' N ' ' C' ' 29' ' ' ALA . 27.5 m -69.0 -42.48 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.476 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.77 -40.61 97.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.28 99.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.47 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.92 -42.49 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.667 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.97 -44.01 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -64.25 -43.58 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -44.71 97.33 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.01 -42.81 96.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.944 0.402 . . . . 0.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.95 -38.55 86.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.917 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.19 -41.92 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.923 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.87 -39.9 90.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.144 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.13 -44.5 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.591 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.53 -43.5 59.84 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.428 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -67.03 -45.82 76.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.593 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.483 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.92 -44.04 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.421 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.447 ' N ' HG23 ' C' ' 42' ' ' ILE . 83.0 mt -65.4 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.6 -42.62 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' C' ' 48' ' ' PHE . 8.0 tpt180 -70.43 -19.94 62.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.612 ' O ' HD23 ' C' ' 46' ' ' LEU . 1.8 tt -62.29 -43.49 98.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.038 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -61.25 -45.11 95.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.45 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.1 m-85 -131.82 134.22 45.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.644 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.6 -40.34 96.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.502 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.77 -19.15 64.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.501 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -62.16 -43.19 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.73 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.7 t -103.22 98.01 8.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.995 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.52 151.4 87.28 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.382 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.42 -26.79 55.11 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.545 2.163 . . . . 0.0 111.837 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.04 -40.8 82.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.361 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.62 -48.89 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.843 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.481 HG23 ' N ' ' D' ' 29' ' ' ALA . 27.6 m -69.2 -42.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.481 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.79 -40.52 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.613 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.2 99.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.499 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.89 -42.52 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.87 -44.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 89.9 mt -64.19 -43.67 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.66 97.41 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.02 -42.81 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.95 -38.63 86.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.919 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.584 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.28 -41.86 85.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.872 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.78 -39.94 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.24 -44.44 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.506 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.5 -43.7 59.52 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.087 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.3 t90 -66.82 -45.94 76.72 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.563 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.92 -44.02 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.462 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.5 mt -65.6 -41.81 92.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.954 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -62.73 -42.73 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.467 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' D' ' 48' ' ' PHE . 7.9 tpt180 -70.36 -20.04 62.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.623 ' O ' HD23 ' D' ' 46' ' ' LEU . 1.8 tt -62.31 -43.36 99.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.947 0.404 . . . . 0.0 110.106 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -61.36 -45.12 95.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.1 m-85 -131.6 134.25 45.83 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.643 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.742 ' H3 ' HG13 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.95 137.83 35.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -85.25 -2.71 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.4 m -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.477 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.1 p -84.79 85.62 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.333 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.71 151.39 94.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.223 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.13 -19.2 51.24 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.481 2.12 . . . . 0.0 111.856 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.9 -41.55 99.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.49 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.36 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.401 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.3 -44.31 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.375 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.61 78.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.092 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.547 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -71.28 -40.88 70.64 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.453 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' D' ' 30' ' ' ALA . 24.5 t-20 -68.85 -46.66 67.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 33' ' ' ILE . 20.1 tt -65.26 -42.39 93.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 ' N ' HG23 ' A' ' 32' ' ' ILE . 81.6 mt -64.07 -43.84 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.25 -45.52 95.03 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.51 -42.86 96.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.329 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.22 -40.97 95.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.579 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -58.12 -40.52 81.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.136 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.9 mt -59.88 -41.38 91.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.523 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.15 -47.85 88.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.168 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -66.22 -42.74 88.28 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.21 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.481 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.5 t90 -65.53 -40.92 93.46 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.64 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.82 -43.99 98.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.033 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.66 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.307 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.47 -40.68 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.325 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 48' ' ' PHE . 82.3 mtp180 -60.48 -23.77 64.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.804 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.37 -44.4 97.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.431 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 80.4 m-85 -64.01 -45.36 89.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.525 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.4 m-85 -134.52 142.82 47.13 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.58 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -82.05 137.8 34.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.476 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -85.3 -2.69 58.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.419 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.0 m -61.14 -43.23 99.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 82.3 p -84.75 85.67 7.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.302 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.78 151.36 95.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.255 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.07 -19.21 51.63 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.563 2.175 . . . . 0.0 111.885 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.553 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.35 -46.12 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.52 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.29 -44.27 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.66 78.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.144 0.497 . . . . 0.0 110.224 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.449 ' HB1' ' H15' ' A' ' 100' ' ' A2Y . . . -71.24 -41.02 70.68 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.434 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.547 HD22 ' HB2' ' A' ' 30' ' ' ALA . 24.5 t-20 -68.82 -46.53 68.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.251 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.493 HG23 ' N ' ' B' ' 33' ' ' ILE . 20.1 tt -65.41 -42.31 93.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.692 -179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.493 ' N ' HG23 ' B' ' 32' ' ' ILE . 83.1 mt -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.531 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.28 -45.63 94.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.41 -43.02 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.021 0.439 . . . . 0.0 110.367 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.05 -40.95 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.11 -40.5 81.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.101 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.579 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.0 mt -60.03 -41.28 91.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.35 -47.73 89.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.108 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.9 mm? -66.3 -42.84 87.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.162 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.486 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.37 -40.93 94.16 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.944 0.402 . . . . 0.0 110.038 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.563 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.77 92.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.368 -179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.5 -40.85 79.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.274 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' B' ' 48' ' ' PHE . 82.3 mtp180 -60.39 -23.63 64.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.51 -44.4 97.14 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.321 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' B' ' 48' ' ' PHE . 80.3 m-85 -64.0 -45.31 89.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.557 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.6 m-85 -134.62 142.84 47.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.636 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -81.86 137.93 35.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.42 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -85.4 -2.77 58.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.387 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -61.16 -43.25 99.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.486 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -84.67 85.69 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.379 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.81 151.27 95.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.254 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -66.96 -19.32 52.19 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.476 2.117 . . . . 0.0 111.968 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.66 -41.67 99.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.599 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -62.43 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.37 -44.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.356 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.64 78.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.14 0.495 . . . . 0.0 110.262 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.501 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -71.18 -40.99 70.91 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.505 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.88 -46.55 68.12 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.27 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.49 HG23 ' N ' ' C' ' 33' ' ' ILE . 20.1 tt -65.3 -42.38 93.68 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.669 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.49 ' N ' HG23 ' C' ' 32' ' ' ILE . 82.0 mt -64.07 -43.69 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.66 94.68 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.46 -43.0 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.969 0.414 . . . . 0.0 110.247 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.04 -41.09 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.91 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -57.92 -40.78 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.003 0.43 . . . . 0.0 110.117 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.0 mt -59.87 -41.21 91.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.605 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.29 -47.92 88.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.157 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.488 HD22 ' N ' ' C' ' 40' ' ' LEU . 3.9 mm? -66.13 -42.72 88.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.287 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.473 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.6 t90 -65.57 -40.82 93.22 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.774 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.72 -44.07 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.567 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -63.73 -38.75 92.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.323 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -57.41 -40.73 78.95 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.307 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' C' ' 48' ' ' PHE . 82.3 mtp180 -60.52 -23.64 64.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.49 -44.41 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.347 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' C' ' 48' ' ' PHE . 80.4 m-85 -63.98 -45.33 89.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.5 m-85 -134.49 142.73 47.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.55 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.607 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -82.01 137.91 34.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.44 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -85.33 -2.83 58.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.35 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 46.0 m -61.13 -43.23 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.491 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 82.0 p -84.73 85.68 7.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.189 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.88 151.19 95.51 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.258 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.87 -19.24 52.78 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.417 2.078 . . . . 0.0 111.923 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.8 -41.51 99.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.37 -46.19 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.404 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.37 -44.32 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.74 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.127 0.489 . . . . 0.0 110.233 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.423 ' HB2' HD22 ' A' ' 31' ' ' ASN . . . -71.19 -40.97 70.87 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.522 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.501 HD22 ' HB2' ' C' ' 30' ' ' ALA . 24.5 t-20 -68.72 -46.66 68.35 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.485 HG23 ' N ' ' D' ' 33' ' ' ILE . 20.1 tt -65.28 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.724 0.297 . . . . 0.0 110.726 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.485 ' N ' HG23 ' D' ' 32' ' ' ILE . 82.7 mt -63.98 -43.83 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.54 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.35 -45.39 95.15 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.67 -42.89 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.912 0.387 . . . . 0.0 110.288 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.98 -41.05 95.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.049 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.04 -40.65 81.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.9 mt -59.88 -41.28 91.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.523 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.36 -47.9 88.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.978 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.488 ' N ' HD22 ' D' ' 40' ' ' LEU . 3.9 mm? -66.22 -42.85 88.15 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.168 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.485 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.6 t90 -65.42 -40.92 93.93 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.715 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 74.2 mt -63.75 -44.0 98.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.997 0.427 . . . . 0.0 110.071 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.568 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -63.64 -38.82 92.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.328 -179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -57.46 -40.75 79.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.2 mtp180 -60.46 -23.59 64.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.53 -44.34 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.343 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' D' ' 48' ' ' PHE . 80.3 m-85 -64.11 -45.19 89.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.57 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.5 m-85 -134.62 142.74 46.98 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.484 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.628 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.449 ' H15' ' HB1' ' B' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.86 32.86 20.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.473 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.76 -38.26 90.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -42.46 96.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.897 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 t -140.01 126.08 19.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 109.944 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -55.1 150.31 21.21 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.63 -15.42 37.57 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.618 2.212 . . . . 0.0 112.275 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD11 ' ND2' ' B' ' 31' ' ' ASN . 56.4 tp -60.13 -43.79 95.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.938 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.2 -36.62 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.26 -44.63 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.04 84.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.279 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HB2' ' OD1' ' B' ' 31' ' ' ASN . . . -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.458 . . . . 0.0 110.216 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' D' ' 30' ' ' ALA . 32.4 t30 -65.83 -42.15 90.94 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.341 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.45 -43.91 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.459 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.35 82.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.453 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.18 -44.6 93.68 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.411 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.26 -38.94 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.753 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.4 t60 -58.63 -41.23 85.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.44 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.8 mt -61.02 -38.85 87.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.351 -178.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.09 -44.7 98.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.833 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -67.82 -43.55 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.535 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.507 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 89.4 t90 -68.51 -40.15 80.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.741 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.53 -43.33 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.5 -40.08 95.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.734 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.91 -43.82 94.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.459 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.507 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 95.6 mtt-85 -84.43 -13.83 51.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.654 ' C ' HD23 ' A' ' 46' ' ' LEU . 7.9 tt -62.22 -46.05 90.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.593 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -63.02 -45.18 93.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.874 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' A' ' 45' ' ' ARG . 61.4 m-85 -107.64 116.14 31.41 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.626 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' B' ' 19' ' ' SER . 6.9 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 55.85 32.85 20.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.472 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.82 -38.02 89.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -60.35 -42.69 96.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 30.5 t -139.9 125.96 19.78 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.02 150.21 20.84 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.61 -15.45 37.64 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 122.729 2.286 . . . . 0.0 112.219 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.93 -43.76 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.938 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.23 -36.85 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.079 0.466 . . . . 0.0 110.442 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.19 -44.38 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.19 85.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.484 ' HB2' ' OD1' ' C' ' 31' ' ' ASN . . . -63.85 -35.47 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.238 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.535 ' ND2' HD11 ' A' ' 26' ' ' LEU . 32.8 t30 -65.92 -41.96 90.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.365 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.64 -43.76 93.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.517 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.45 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.417 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.65 94.08 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.2 -43.37 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.16 -39.11 88.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.116 0.484 . . . . 0.0 109.788 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -58.56 -41.17 85.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.543 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.453 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.8 mt -61.11 -38.56 86.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.364 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 -44.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.921 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.9 -43.46 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.648 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.522 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 89.5 t90 -68.43 -40.21 81.27 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.825 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.44 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.96 -43.63 94.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 95.6 mtt-85 -84.51 -13.91 50.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.654 ' C ' HD23 ' B' ' 46' ' ' LEU . 7.9 tt -62.2 -45.95 91.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.494 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -62.96 -45.12 93.94 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' B' ' 45' ' ' ARG . 61.2 m-85 -107.76 115.93 31.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.577 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.663 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' C' ' 19' ' ' SER . 7.0 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.9 32.85 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.65 -38.26 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -60.35 -42.6 96.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -139.98 126.13 19.87 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.16 150.28 21.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.536 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.74 -15.32 37.12 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.69 2.26 . . . . 0.0 112.25 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' D' ' 31' ' ' ASN . 56.5 tp -60.2 -43.83 95.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.569 HG21 ' S ' ' A' ' 100' ' ' A2Y . 3.2 m -65.17 -36.68 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.2 -44.56 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.593 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.83 83.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.549 ' HB2' ' OD1' ' D' ' 31' ' ' ASN . . . -63.87 -35.63 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.253 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.484 ' OD1' ' HB2' ' B' ' 30' ' ' ALA . 33.1 t30 -65.89 -42.1 90.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.225 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.51 -43.89 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.495 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.34 -38.34 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.439 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -44.5 93.8 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.33 -43.31 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.329 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.27 -38.96 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.825 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.509 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.2 t60 -58.62 -41.24 85.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.472 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.8 mt -60.9 -38.79 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.296 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.27 -44.45 98.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.962 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.04 -43.43 78.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.602 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.5 t90 -68.5 -40.15 80.99 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.759 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.51 -43.36 96.86 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.48 -40.22 95.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.671 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.82 -43.72 94.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.399 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.501 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.5 mtt-85 -84.6 -13.76 50.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.668 HD23 ' C ' ' C' ' 46' ' ' LEU . 7.9 tt -62.19 -46.16 90.17 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.515 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -62.95 -45.15 93.82 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.925 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 45' ' ' ARG . 61.3 m-85 -107.59 116.06 31.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.601 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.668 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 55.97 32.83 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.75 -38.11 89.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.6 t -60.37 -42.63 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -140.03 126.21 19.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.018 0.437 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.14 150.29 21.61 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.499 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.65 -15.46 37.52 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.685 2.257 . . . . 0.0 112.169 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.442 HD11 ' ND2' ' A' ' 31' ' ' ASN . 56.5 tp -60.0 -43.83 94.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.052 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.23 -36.65 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.34 -44.54 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.526 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.96 84.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.264 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASN . . . -63.9 -35.49 80.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.192 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB2' ' C' ' 30' ' ' ALA . 31.8 t30 -66.03 -41.9 90.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.119 -0.633 . . . . 0.0 110.407 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.55 -43.87 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.437 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.31 -38.49 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.416 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.68 94.13 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.19 -43.32 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.25 -38.99 88.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.506 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -58.71 -41.1 85.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.472 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.482 HD21 ' ND1' ' C' ' 37' ' ' HIS . 1.8 mt -61.05 -38.65 86.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.332 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.96 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.84 -43.5 79.37 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.4 t90 -68.41 -40.31 81.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.79 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.31 -43.52 97.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.45 -40.08 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.504 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 95.6 mtt-85 -84.54 -13.66 51.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.666 ' C ' HD23 ' D' ' 46' ' ' LEU . 7.9 tt -62.22 -46.19 90.0 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.44 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -62.99 -45.09 94.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' D' ' 45' ' ' ARG . 61.1 m-85 -107.57 116.02 31.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.507 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 pttp . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.678 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.569 ' S ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 58.8 m . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 19' ' ' SER . 29.3 m120 -150.7 164.22 36.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.85 -5.34 57.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.593 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -61.49 -36.22 79.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.704 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.9 t -153.09 129.64 10.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.093 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.69 151.42 96.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.528 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.66 -19.05 54.18 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.642 2.228 . . . . 0.0 111.966 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.9 mp -62.44 -41.64 98.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.45 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG21 ' S ' ' A' ' 100' ' ' A2Y . 75.6 t -62.5 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.742 0.306 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.32 -46.49 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.688 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.38 -48.03 77.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.789 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -64.25 -41.92 96.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.57 -43.99 96.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 83.6 mt -63.0 -43.87 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -42.96 99.79 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.77 -43.13 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.52 -38.98 89.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -58.51 -41.39 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.183 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.21 -38.47 86.73 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.671 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.02 -45.37 95.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.928 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -71.69 -44.4 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.59 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -65.67 -39.27 91.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.9 -45.31 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.19 -39.5 92.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.904 0.383 . . . . 0.0 110.632 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 85.8 m-20 -60.61 -45.13 95.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' NE ' ' OD2' ' D' ' 44' ' ' ASP . 59.2 ttm-85 -78.73 -21.06 48.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.612 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.3 -42.85 99.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.367 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 48' ' ' PHE . 75.9 m-85 -93.64 40.62 1.07 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -45.84 173.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.269 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.956 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.428 ' O ' ' ND2' ' B' ' 20' ' ' ASN . 58.7 m . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' B' ' 19' ' ' SER . 29.3 m120 -150.89 163.96 37.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.59 -5.3 56.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 81.9 p -61.46 -36.38 80.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.725 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -153.0 129.27 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.108 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.35 151.41 95.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.558 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.62 -19.21 54.29 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.653 2.236 . . . . 0.0 111.947 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 26' ' ' LEU . 9.8 mp -62.32 -41.67 98.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.432 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.65 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.56 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.23 -46.48 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.503 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.73 88.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.62 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.08 77.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.751 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.02 -42.14 97.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.66 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.33 -44.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.577 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.2 mt -62.93 -43.76 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.08 -42.87 99.93 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.88 -43.03 97.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.438 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.64 -38.76 88.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.46 -41.46 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.231 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.4 mt -61.27 -38.4 86.59 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.743 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.9 -45.72 94.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.889 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -71.38 -44.41 65.04 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.578 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.462 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 88.7 t90 -65.74 -39.25 90.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.622 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.97 -45.34 97.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 110.456 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.14 -39.58 93.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.919 0.39 . . . . 0.0 110.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.528 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 87.5 m-20 -60.58 -45.05 95.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.435 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 44' ' ' ASP . 59.1 ttm-85 -78.85 -21.11 48.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.3 -42.71 99.59 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.425 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 48' ' ' PHE . 75.9 m-85 -93.61 40.69 1.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -45.85 173.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.193 179.517 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.024 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . 0.441 ' O ' ' ND2' ' C' ' 20' ' ' ASN . 57.6 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' C' ' 19' ' ' SER . 29.1 m120 -151.2 164.05 37.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.68 -5.4 56.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -61.53 -36.4 80.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.697 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 37.8 t -152.89 129.42 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.16 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.42 151.35 96.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.554 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.6 -19.22 54.35 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.638 2.225 . . . . 0.0 111.948 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.55 HD12 ' N ' ' C' ' 26' ' ' LEU . 9.8 mp -62.27 -41.77 98.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.367 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -62.48 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.29 -46.56 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.57 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.74 88.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -48.12 77.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.424 HD21 ' H15' ' A' ' 100' ' ' A2Y . 6.3 m120 -63.99 -42.12 97.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.718 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.39 -44.07 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 83.1 mt -63.04 -43.67 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.15 -42.83 99.91 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.79 -43.14 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.402 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.69 -38.88 89.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.633 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -58.47 -41.37 85.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.239 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.13 -38.53 86.71 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.98 -45.5 95.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.911 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.57 -44.47 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.59 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.469 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -65.53 -39.3 91.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.603 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.81 -45.53 96.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.03 -39.45 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.997 0.427 . . . . 0.0 110.647 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 m-20 -60.86 -45.2 95.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.51 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 59.0 ttm-85 -78.6 -21.01 49.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.344 . . . . 0.0 110.609 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' C' ' 48' ' ' PHE . 75.9 m-85 -93.54 40.62 1.07 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' C' ' 48' ' ' PHE . 0.1 OUTLIER -46.01 173.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.178 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.913 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' D' ' 20' ' ' ASN . 58.5 m . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' D' ' 19' ' ' SER . 29.1 m120 -150.92 164.21 36.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.89 -5.11 56.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -36.15 80.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.0 t -153.09 129.29 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.234 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.32 151.39 95.96 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -66.6 -19.25 54.36 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.683 2.255 . . . . 0.0 112.021 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.535 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.7 mp -62.15 -41.9 98.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.447 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.49 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.399 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.39 -46.5 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.454 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.19 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -64.06 -42.02 97.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.597 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.55 -43.95 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.522 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.436 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 83.6 mt -63.03 -43.79 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.01 -42.97 99.98 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.81 -43.19 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.59 -38.69 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.353 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.52 -41.42 85.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.233 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.633 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.4 mt -61.1 -38.62 86.96 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.611 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.02 -45.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.749 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -71.54 -44.38 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.546 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.459 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 88.8 t90 -65.67 -39.26 91.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.599 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.95 -45.36 97.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 110.356 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.28 -39.54 92.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.629 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 88.1 m-20 -60.54 -45.06 95.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.541 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 59.1 ttm-85 -78.79 -21.14 48.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.649 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.28 -42.74 99.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.325 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 75.9 m-85 -93.55 40.68 1.07 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' D' ' 48' ' ' PHE . 0.1 OUTLIER -46.06 173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.12 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.896 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.478 ' S ' HG21 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' SER . 9.8 t-20 56.57 41.73 28.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.79 -16.73 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.8 m -58.79 -43.08 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.658 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 66.3 m -147.77 114.37 6.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.837 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.87 153.39 82.98 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.418 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.3 -38.69 26.65 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.939 1.759 . . . . 0.0 112.315 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -62.2 -42.3 99.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.506 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.9 -47.23 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.464 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.84 -45.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.8 89.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.848 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.68 -41.97 98.1 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.405 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -43.06 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.4 mm -61.85 -43.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.57 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.82 -42.64 99.77 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.38 -43.46 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.28 -38.14 88.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -58.68 -41.74 86.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.1 mt -61.02 -40.23 92.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.05 -44.53 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.638 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.64 -43.85 58.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.197 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 68.1 t90 -66.34 -47.39 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.357 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.5 tt -65.06 -39.8 86.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.27 -41.03 98.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.74 -43.69 94.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.467 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 -68.99 -19.42 64.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.2 tt -61.59 -44.13 97.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 110.145 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -92.56 40.5 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.615 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.2 136.35 7.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.425 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.905 -1.045 . . . . 0.0 110.584 -179.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' B' ' 23' ' ' SER . 9.8 t-20 56.73 41.62 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.73 -16.72 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.608 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.5 m -58.92 -42.96 90.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.599 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' B' ' 20' ' ' ASN . 66.1 m -147.82 114.41 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.777 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 153.38 82.71 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.371 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.28 -38.72 26.54 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.934 1.756 . . . . 0.0 112.313 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.554 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.3 mp -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.497 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.67 -47.23 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.624 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.82 -45.8 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.634 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.81 94.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.29 -45.67 90.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.846 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.64 -42.04 98.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.1 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.4 mm -61.95 -43.69 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.451 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.73 99.8 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.27 -43.46 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.365 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.18 -38.31 88.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.51 -41.8 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.93 -40.28 92.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.06 -44.56 99.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.63 -43.86 58.48 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.238 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.52 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 67.6 t90 -66.24 -47.35 74.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.431 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.5 tt -65.08 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.125 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.17 -41.09 97.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.95 -43.48 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.393 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.52 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.6 mtt-85 -69.03 -19.48 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -61.65 -44.04 97.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 0.0 110.159 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -92.58 40.55 1.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.39 136.54 7.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.391 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.499 -179.745 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' C' ' 23' ' ' SER . 9.9 t-20 56.8 41.68 27.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.71 -16.82 63.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.655 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 56.4 m -58.88 -42.97 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.625 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' C' ' 20' ' ' ASN . 66.6 m -147.77 114.53 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 153.46 82.71 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.344 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.44 -38.6 27.57 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 121.946 1.764 . . . . 0.0 112.231 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.552 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -62.37 -42.16 99.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.535 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.87 -47.19 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.7 t -64.77 -45.95 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.583 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.95 94.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.67 90.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.775 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.465 ' OD1' ' H15' ' A' ' 100' ' ' A2Y . 98.9 m-20 -63.63 -42.05 98.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.905 0.383 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.12 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.492 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.446 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.4 mm -61.8 -43.67 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.533 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.74 99.8 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.34 -43.47 97.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.17 -38.25 88.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.19 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.68 -41.63 86.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.022 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -61.01 -40.35 93.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -44.55 99.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.544 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -43.81 58.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.227 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 67.7 t90 -66.35 -47.39 73.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.41 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.4 tt -64.91 -39.84 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.116 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.744 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.74 -43.66 94.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.518 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 -68.89 -19.54 64.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.927 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.638 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.2 tt -61.53 -44.17 97.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.161 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -92.59 40.67 1.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.694 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -46.43 136.5 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' D' ' 23' ' ' SER . 9.9 t-20 56.81 41.65 27.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.79 -16.68 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 56.6 m -58.99 -42.98 91.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.429 ' O ' ' OD1' ' D' ' 20' ' ' ASN . 66.2 m -147.69 114.43 6.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.786 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.9 153.43 82.93 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.433 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.35 -38.71 27.02 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.947 1.765 . . . . 0.0 112.24 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.538 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -62.26 -42.3 99.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.38 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.9 -47.22 93.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.419 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.87 -45.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.94 94.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.77 90.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.63 -42.01 98.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -43.02 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.547 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.4 mm -61.92 -43.72 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.515 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.66 -42.85 99.82 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.13 -43.5 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.19 -38.23 88.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.58 -41.74 86.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.978 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -61.1 -40.19 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.93 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.557 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -73.59 -43.83 58.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.175 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.528 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 67.7 t90 -66.4 -47.28 73.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.373 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.23 -39.46 85.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.47 -41.06 98.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -43.58 94.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.35 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.528 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.6 mtt-85 -69.02 -19.41 64.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.884 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.639 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.2 tt -61.7 -44.0 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.111 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -92.72 40.68 1.06 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.908 0.385 . . . . 0.0 110.697 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -46.37 136.47 7.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.458 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.518 -179.727 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.465 ' H15' ' OD1' ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.05 173.64 8.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.58 -39.07 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.712 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -57.59 -41.21 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -103.71 96.56 6.79 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.833 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.28 152.55 81.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.48 -39.14 16.81 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.147 1.898 . . . . 0.0 112.348 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -62.56 -42.33 99.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.528 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.24 -46.19 96.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.59 -48.3 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.531 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.76 84.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.514 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.058 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.45 -43.12 95.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.439 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.93 -43.39 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 96.8 mt -62.76 -42.69 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.391 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.97 -47.84 64.79 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -65.37 -42.49 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.636 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.39 -42.29 98.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.465 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.57 -44.32 97.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.709 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -59.87 -40.07 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.644 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.21 -43.78 98.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.35 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.53 -41.93 65.3 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -68.82 -47.66 65.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.361 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.3 tt -65.05 -40.67 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 54.2 tp -62.95 -40.44 97.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.447 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' PHE . 98.8 m-20 -61.67 -33.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.608 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -55.85 -41.86 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.313 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.7 mp -61.69 -40.78 96.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.369 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 85.0 m-85 -89.79 -4.95 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.511 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ASP . 95.0 m-85 -155.58 66.02 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.707 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' OXT' ' CZ ' ' D' ' 48' ' ' PHE . 26.2 pttm . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.661 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.2 173.87 8.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.543 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.88 -38.76 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -57.95 -41.11 82.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.76 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 10.4 t -103.78 96.1 6.47 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -77.13 152.58 82.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.418 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -45.47 -39.14 16.77 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.263 1.975 . . . . 0.0 112.407 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.549 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.4 mp -62.54 -42.28 99.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.429 HG21 ' S ' ' A' ' 100' ' ' A2Y . 74.1 t -63.24 -46.21 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.56 -48.22 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.718 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.19 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.718 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.49 76.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.995 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.22 95.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.8 mm -64.16 -43.3 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.405 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.9 mt -62.57 -42.74 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.27 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -65.46 -42.52 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.43 -42.1 98.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.46 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.3 t60 -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.759 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -59.85 -40.14 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -178.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.3 -43.69 98.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.388 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.4 -42.04 65.62 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.9 t90 -68.99 -47.61 65.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.284 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.2 tt -64.95 -40.9 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.937 0.399 . . . . 0.0 110.322 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.422 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 53.9 tp -62.78 -40.62 97.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' B' ' 48' ' ' PHE . 99.5 m-20 -61.44 -33.88 74.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.472 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.79 -41.86 74.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 46' ' ' LEU . 10.7 mp -61.86 -40.85 96.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.29 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 84.9 m-85 -89.79 -4.71 57.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.421 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.497 ' CE2' ' OXT' ' C' ' 49' ' ' LYS . 95.8 m-85 -155.69 66.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.702 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.599 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -88.2 173.8 8.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.66 -39.0 92.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.67 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.8 m -58.03 -41.06 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -103.8 96.38 6.66 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.26 152.78 81.88 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -45.69 -39.11 17.9 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.139 1.893 . . . . 0.0 112.378 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.557 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -62.47 -42.39 99.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.498 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.26 -46.03 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -48.19 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.87 84.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.94 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.28 -43.21 95.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.4 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.68 -43.47 98.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.537 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 96.8 mt -62.71 -42.68 97.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.9 -47.7 64.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.59 -42.49 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.55 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.48 -42.07 98.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.2 t60 -61.53 -44.42 97.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.839 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 0.9 OUTLIER -59.69 -40.15 86.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 -178.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.21 -43.75 98.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.417 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.65 -41.95 64.91 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.46 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.85 -47.62 65.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.515 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.3 tt -65.01 -40.84 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 53.7 tp -62.84 -40.49 97.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' C' ' 48' ' ' PHE . 99.3 m-20 -61.54 -33.93 74.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.472 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.65 -41.92 74.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.286 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.515 HD12 ' N ' ' C' ' 46' ' ' LEU . 10.7 mp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.222 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 85.3 m-85 -89.78 -4.95 57.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.424 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' C' ' 44' ' ' ASP . 94.6 m-85 -155.63 66.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.686 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.497 ' OXT' ' CE2' ' B' ' 48' ' ' PHE . 26.2 pttm . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.64 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 p30 -88.45 173.82 8.47 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.81 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -58.03 -40.86 81.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -104.0 96.32 6.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -77.36 152.65 81.53 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.463 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.48 -39.05 16.72 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.162 1.908 . . . . 0.0 112.329 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.548 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -62.52 -42.52 99.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 110.474 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.18 -46.07 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.75 -48.18 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.22 86.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.69 76.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.001 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -64.39 -43.11 95.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mm -64.11 -43.18 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.589 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.8 mt -62.76 -42.74 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.25 61.55 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -65.25 -42.42 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.647 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.57 -42.16 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.682 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.448 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.3 t60 -61.51 -44.43 97.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.537 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 0.9 OUTLIER -59.79 -40.06 87.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.23 -43.84 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.291 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.35 -41.92 65.92 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.2 t90 -68.93 -47.73 65.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.276 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.2 tt -64.96 -40.8 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.267 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 54.0 tp -62.91 -40.48 97.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.405 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' D' ' 48' ' ' PHE . 99.2 m-20 -61.58 -33.9 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -55.51 -42.02 73.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.525 ' N ' HD12 ' D' ' 46' ' ' LEU . 10.7 mp -61.69 -40.78 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 85.2 m-85 -89.81 -4.91 57.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.468 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' D' ' 44' ' ' ASP . 95.6 m-85 -155.52 66.54 0.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.668 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.429 ' S ' HG21 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -80.54 -6.62 58.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 35.6 p-10 -90.76 0.82 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.53 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -61.14 -44.19 97.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -149.12 -143.8 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.171 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.14 115.51 62.91 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.662 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.0 -16.18 23.06 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.806 1.671 . . . . 0.0 111.981 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.27 -41.82 98.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.39 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.563 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.37 -44.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.14 95.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.803 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.53 -36.64 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.58 -38.63 91.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.95 -41.74 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.243 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.573 HG23 HD11 ' B' ' 38' ' ' LEU . 1.8 mp -61.37 -43.42 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.548 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.21 -55.95 26.79 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.283 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.8 mp -69.77 -43.79 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.576 0.227 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.2 -45.55 94.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.785 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.55 -40.58 92.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.058 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.646 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.2 mt -60.73 -39.58 89.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.41 -44.52 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.969 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.2 mm? -71.63 -43.06 66.81 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.22 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -69.3 -45.89 68.5 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.59 -43.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.253 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' N ' HG23 ' A' ' 42' ' ' ILE . 82.2 mt -65.4 -42.14 92.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.2 t0 -53.75 -34.92 60.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.343 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.64 -42.39 88.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.604 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.1 mp -62.27 -44.7 95.94 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.768 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -65.55 -45.68 82.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.72 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.4 150.26 34.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.499 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -80.71 -6.61 58.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -90.65 0.62 57.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.97 -44.13 97.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.969 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -149.28 -143.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.142 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.05 115.55 63.01 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.551 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.17 -15.92 22.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.733 1.622 . . . . 0.0 112.098 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.4 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t -62.3 -46.21 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.611 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.53 -44.83 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.35 95.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.71 73.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.53 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.47 -38.67 92.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.1 -41.91 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.272 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' C' ' 38' ' ' LEU . 1.9 mp -61.31 -43.23 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.39 -55.87 27.37 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.258 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.567 HD12 ' N ' ' B' ' 35' ' ' ILE . 1.8 mp -69.97 -43.67 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 120.666 0.269 . . . . 0.0 110.978 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.22 -45.69 93.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.706 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.75 91.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.043 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.3 mt -60.7 -39.59 89.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.237 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.17 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -71.59 -43.12 66.82 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.199 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -69.4 -45.73 68.56 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.64 -43.55 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.391 -0.523 . . . . 0.0 110.318 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.465 ' N ' HG23 ' B' ' 42' ' ' ILE . 82.4 mt -65.52 -42.09 92.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.0 t0 -53.95 -34.79 60.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -58.62 -42.48 88.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.581 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 46' ' ' LEU . 10.1 mp -62.23 -44.72 95.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.778 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.34 -45.84 82.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.896 0.379 . . . . 0.0 110.718 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -147.39 150.23 34.27 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.444 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -80.64 -6.64 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 35.5 p-10 -90.63 0.73 57.28 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.09 -44.07 97.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -149.18 -143.79 0.14 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -87.06 115.54 62.98 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.21 -15.86 22.65 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.612 1.542 . . . . 0.0 112.06 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.34 -41.89 98.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.822 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -62.25 -46.42 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.3 -44.87 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.06 -45.18 95.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.64 74.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.449 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -38.76 92.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.14 -41.69 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.327 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.574 HG23 HD11 ' D' ' 38' ' ' LEU . 1.9 mp -61.4 -43.35 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.481 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.29 -55.91 27.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 120.229 -0.986 . . . . 0.0 111.324 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.558 ' N ' HD12 ' C' ' 35' ' ' ILE . 1.8 mp -69.96 -43.78 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.934 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.98 -45.78 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.798 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.36 -40.7 91.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.092 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.3 mt -60.75 -39.45 88.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.65 99.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.093 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.463 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.2 mm? -71.58 -43.12 66.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.168 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -69.35 -45.78 68.59 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.65 -43.51 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.262 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.456 ' N ' HG23 ' C' ' 42' ' ' ILE . 82.3 mt -65.47 -42.24 92.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.774 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.1 t0 -53.77 -34.96 60.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.314 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.59 -42.45 88.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.58 HD12 ' N ' ' C' ' 46' ' ' LEU . 10.1 mp -62.26 -44.74 95.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.755 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.38 -45.75 82.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.849 0.357 . . . . 0.0 110.708 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -147.48 150.16 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.632 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -80.54 -6.65 58.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 35.7 p-10 -90.65 0.75 57.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.02 -44.16 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -149.2 -143.75 0.14 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.199 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -87.2 115.66 63.44 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.26 -16.06 22.4 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.812 1.674 . . . . 0.0 111.944 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.41 -41.72 98.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.828 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.42 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.625 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.38 -45.03 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.13 96.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.761 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.48 73.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -63.54 -38.73 92.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.97 -42.04 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.579 HG23 HD11 ' A' ' 38' ' ' LEU . 1.9 mp -61.18 -43.37 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.542 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.46 -55.77 27.94 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 120.203 -0.999 . . . . 0.0 111.266 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . 0.548 HD12 ' N ' ' D' ' 35' ' ' ILE . 1.8 mp -69.98 -43.74 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.03 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.805 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.646 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.57 -40.56 92.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.09 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.2 mt -60.72 -39.69 89.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.046 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.2 -44.64 99.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.035 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.449 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.2 mm? -71.45 -43.11 67.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.256 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -69.45 -45.76 68.33 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.0 tt -63.58 -43.79 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.214 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.468 ' N ' HG23 ' D' ' 42' ' ' ILE . 82.3 mt -65.27 -42.21 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.865 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.1 t0 -53.83 -34.93 60.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.249 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.56 -42.43 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.575 ' N ' HD12 ' D' ' 46' ' ' LEU . 10.0 mp -62.2 -44.86 95.63 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.786 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -65.34 -45.87 82.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.837 0.351 . . . . 0.0 110.67 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -147.38 150.37 34.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.528 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -70.51 -22.4 62.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.14 -43.77 92.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -62.09 -39.58 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.525 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.4 t -156.95 127.8 6.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.519 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -79.24 152.59 76.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.36 -18.07 54.69 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.657 2.238 . . . . 0.0 112.232 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.94 -41.18 97.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.34 -46.68 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.507 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.71 -45.62 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.87 96.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.536 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -61.76 -43.24 99.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.505 HD22 ' HB2' ' D' ' 30' ' ' ALA . 24.3 t-20 -65.12 -42.87 93.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.705 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.62 -44.67 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -64.57 -43.93 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.16 -47.4 90.07 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.33 -42.91 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.004 0.431 . . . . 0.0 110.278 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.26 -39.89 84.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.281 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -58.53 -40.6 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.4 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.05 -39.81 87.26 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.82 -44.03 93.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -73.48 -44.91 56.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.056 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.4 t90 -64.65 -39.38 93.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -46.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.613 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.45 -37.91 88.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.892 0.377 . . . . 0.0 110.62 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.515 ' OD2' ' NE ' ' B' ' 45' ' ' ARG . 95.2 m-20 -58.5 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.509 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 52.4 ttm-85 -65.05 -52.11 57.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.067 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 4.0 mm? -63.38 -42.83 98.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.02 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 49' ' ' LYS . 62.6 m-85 -101.26 40.71 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.382 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.71 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.499 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 47' ' ' PHE . 88.1 tttt . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.504 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -70.22 -22.44 62.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.01 -43.53 91.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.417 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -62.52 -39.07 92.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.558 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 45.1 t -157.13 127.91 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.515 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.3 OUTLIER -79.53 152.38 75.46 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.569 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.11 -18.22 56.12 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.706 2.271 . . . . 0.0 112.142 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.91 -40.85 96.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.85 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.475 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.58 -44.92 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.17 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.628 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' C' ' 31' ' ' ASN . . . -62.51 -41.98 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.732 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 ' HB2' ' A' ' 30' ' ' ALA . 24.3 t-20 -66.26 -42.85 87.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.776 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.79 -44.32 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.656 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 94.0 mt -64.8 -43.91 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.47 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.3 -47.53 89.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.23 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.015 0.436 . . . . 0.0 110.195 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.09 -40.21 84.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.36 -40.55 82.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.286 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.2 -39.53 86.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.05 -43.98 93.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.4 -45.17 56.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.04 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.458 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.1 t90 -64.32 -39.48 94.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.68 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.52 -46.63 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.16 -37.6 87.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.964 0.412 . . . . 0.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.53 ' OD2' ' NE ' ' C' ' 45' ' ' ARG . 94.9 m-20 -58.85 -43.19 90.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.53 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 52.3 ttm-85 -64.77 -52.23 58.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' B' ' 46' ' ' LEU . 4.0 mm? -63.31 -43.08 98.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' B' ' 49' ' ' LYS . 63.5 m-85 -101.02 40.81 1.24 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.446 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -45.83 86.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' B' ' 47' ' ' PHE . 87.9 tttt . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.569 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.29 -22.81 62.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -58.38 -44.1 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.445 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.07 -39.11 91.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -157.39 127.49 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.47 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.3 OUTLIER -79.03 152.46 76.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.444 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.19 -18.03 55.46 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.665 2.244 . . . . 0.0 112.247 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.02 -40.8 96.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.629 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.99 -45.96 97.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.39 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.612 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.72 96.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -62.24 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.679 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' B' ' 30' ' ' ALA . 23.7 t-20 -65.68 -42.71 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.77 -44.88 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.552 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 94.2 mt -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.1 -47.61 88.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.18 -42.79 97.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.995 0.426 . . . . 0.0 110.177 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.348 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.2 t60 -58.75 -40.75 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.312 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.22 -39.4 86.49 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.05 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.14 -43.99 94.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.506 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.0 mm? -73.43 -44.76 57.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.104 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.3 t90 -64.78 -39.15 93.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.795 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.74 -46.78 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.579 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.11 -38.04 89.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.5 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NE ' ' D' ' 45' ' ' ARG . 92.4 m-20 -58.47 -43.62 89.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.449 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.53 ' NE ' ' OD2' ' B' ' 44' ' ' ASP . 52.5 ttm-85 -64.32 -52.12 60.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.047 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.451 HD22 ' N ' ' C' ' 46' ' ' LEU . 4.0 mm? -63.54 -42.83 98.37 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.569 ' O ' ' N ' ' C' ' 49' ' ' LYS . 63.0 m-85 -101.45 40.88 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.371 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' C' ' 48' ' ' PHE . 0.0 OUTLIER -45.81 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.601 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' C' ' 47' ' ' PHE . 88.0 tttt . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.529 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -70.52 -22.76 62.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.6 -43.81 89.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.427 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -62.6 -38.22 89.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -158.05 127.81 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.472 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.3 OUTLIER -79.59 152.57 75.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.15 -17.78 55.24 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.805 2.337 . . . . 0.0 112.265 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.12 -41.03 97.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.576 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.7 t -61.94 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.422 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.34 -45.08 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.18 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HB2' HD22 ' A' ' 31' ' ' ASN . . . -62.6 -42.74 99.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.649 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.434 HD22 ' HB2' ' C' ' 30' ' ' ALA . 23.7 t-20 -65.49 -43.01 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.756 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.47 -44.86 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.628 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.412 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 93.3 mt -64.28 -44.14 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.81 -47.88 87.45 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.18 -43.0 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.386 . . . . 0.0 110.228 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.82 -39.87 82.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.482 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.6 -40.76 84.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.305 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.4 mt -60.01 -39.54 86.16 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.018 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.96 -44.08 93.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.501 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.36 -44.42 58.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.181 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.4 t90 -65.1 -39.36 93.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.663 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.64 -46.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.15 -37.79 88.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.996 0.427 . . . . 0.0 110.729 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.506 ' OD2' ' NE ' ' A' ' 45' ' ' ARG . 93.9 m-20 -58.64 -43.42 89.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.534 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.527 ' NE ' ' OD2' ' C' ' 44' ' ' ASP . 53.1 ttm-85 -64.54 -52.48 57.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.02 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' D' ' 46' ' ' LEU . 4.0 mm? -63.2 -42.81 99.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.037 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.568 ' O ' ' N ' ' D' ' 49' ' ' LYS . 63.1 m-85 -101.27 40.79 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.641 ' N ' ' CD1' ' D' ' 48' ' ' PHE . 0.0 OUTLIER -45.92 86.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' D' ' 47' ' ' PHE . 88.1 tttt . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.432 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 55.97 40.12 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.481 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.5 -40.07 90.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.14 -43.93 98.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.678 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.23 100.77 8.6 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.91 133.14 92.2 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.483 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.06 -19.18 30.31 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.742 1.628 . . . . 0.0 112.348 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.24 -45.21 94.36 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.634 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.7 -45.47 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.09 93.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.694 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.14 78.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.13 -41.59 97.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.87 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.95 0.405 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 86.6 mt -63.59 -43.47 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.795 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.35 -44.38 98.14 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.96 -42.92 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.81 -38.25 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.33 -41.46 84.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.962 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.63 -40.14 90.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.175 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.42 -44.42 99.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.001 -0.679 . . . . 0.0 110.464 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.36 -43.76 63.58 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.321 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.6 t90 -67.93 -46.7 70.79 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.667 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.0 tt -64.65 -38.77 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.125 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.79 -42.14 98.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.655 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.3 m-20 -60.7 -42.69 97.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.28 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' PHE . 5.8 tmm_? -67.4 -21.18 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.677 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.628 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.8 tt -62.5 -47.4 84.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.26 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -62.49 -46.74 87.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.724 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' ARG . 72.4 m-85 -113.01 120.22 40.6 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.37 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.515 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 56.0 39.96 30.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.47 -40.0 89.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.12 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.643 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.19 100.65 8.53 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.77 133.07 91.83 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.09 -19.21 30.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.872 1.715 . . . . 0.0 112.215 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.28 -45.17 94.47 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.587 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.82 -45.5 94.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.87 -45.28 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.08 78.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.614 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.03 -41.64 97.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.55 -43.86 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.567 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.437 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 87.1 mt -63.46 -43.66 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.22 -44.48 98.06 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.94 -42.93 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.999 0.428 . . . . 0.0 110.111 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.82 -38.21 84.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.837 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.31 -41.66 84.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.961 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.2 mt -60.47 -40.26 90.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.16 -44.46 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.612 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.31 -43.99 63.37 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.255 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.3 t90 -67.7 -46.81 71.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.51 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.0 tt -64.7 -38.79 83.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.934 0.397 . . . . 0.0 110.048 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.8 -42.19 98.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.58 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.448 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.4 m-20 -60.73 -42.7 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.187 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 5.8 tmm_? -67.4 -21.19 65.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.663 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.8 tt -62.36 -47.58 83.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.309 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -62.34 -46.75 87.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.734 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 45' ' ' ARG . 72.2 m-85 -113.09 120.15 40.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.581 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 55.97 40.06 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.62 -39.99 90.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.726 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -61.2 -43.96 98.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -114.13 100.68 8.56 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.8 133.17 91.93 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.549 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.17 -19.09 30.04 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.756 1.637 . . . . 0.0 112.306 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.39 -45.07 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.741 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.477 HG21 ' S ' ' A' ' 100' ' ' A2Y . 71.1 t -64.79 -45.4 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.561 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -63.91 -45.29 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.93 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.95 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.656 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.2 -41.66 96.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.5 -43.88 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.568 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 87.0 mt -63.52 -43.64 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.28 -44.42 98.11 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.88 -43.01 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.116 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.74 -38.21 84.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.23 -41.64 84.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.982 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.9 mt -60.66 -40.23 91.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.102 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.53 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.26 -43.79 63.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.383 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.5 t90 -67.83 -46.8 70.83 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.656 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.529 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.0 tt -64.65 -38.63 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.116 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.79 -42.24 98.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.3 m-20 -60.75 -42.73 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 5.8 tmm_? -67.38 -21.06 65.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.632 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.8 tt -62.52 -47.46 83.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 110.183 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -62.39 -46.81 86.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.701 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' C' ' 45' ' ' ARG . 72.7 m-85 -113.05 120.07 40.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.564 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 m120 55.85 40.21 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.59 -40.05 90.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.689 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -61.2 -43.86 98.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -114.26 100.64 8.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.78 133.11 91.87 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.546 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.11 -19.11 30.23 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.784 1.656 . . . . 0.0 112.233 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.6 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.68 -45.59 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.81 -45.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.454 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.0 93.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.726 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.01 79.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.631 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.2 -41.54 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.737 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.58 -43.87 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 86.7 mt -63.49 -43.58 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -44.34 98.18 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -64.0 -42.95 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 110.07 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.77 -38.22 84.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.889 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.19 -41.72 84.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.1 mt -60.57 -40.22 90.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.074 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -44.49 99.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.515 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.3 -44.03 63.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.349 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.65 -46.85 71.23 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.54 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.539 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.0 tt -64.7 -38.74 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.78 -42.14 98.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.712 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.3 m-20 -60.8 -42.55 97.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 5.8 tmm_? -67.45 -21.29 65.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.619 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.8 tt -62.34 -47.53 83.8 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.225 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -62.4 -46.7 87.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 72.3 m-85 -113.12 120.29 40.78 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.43 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.492 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.477 ' S ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -92.52 6.76 46.0 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.423 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -83.93 -2.09 55.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.912 0.387 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.405 ' O ' ' OD2' ' D' ' 24' ' ' ASP . 78.0 p -65.63 -33.27 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.683 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.6 m -148.53 130.27 15.08 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.18 0.514 . . . . 0.0 110.209 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -49.42 151.59 2.66 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.83 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -48.68 -42.91 35.54 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.326 2.017 . . . . 0.0 112.285 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.2 mp -62.5 -43.59 98.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.431 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.71 -46.36 92.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.517 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.18 -46.68 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.376 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.9 88.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.466 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.01 -40.73 64.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.485 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.18 -39.92 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.6 mm -65.06 -43.18 95.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.564 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 51.4 mm -62.51 -45.8 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -51.28 54.51 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.13 -42.42 95.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.183 0.516 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.86 -41.51 91.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.445 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.593 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.35 -39.9 80.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.352 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.9 mt -60.32 -39.96 88.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.545 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.48 -45.12 94.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.345 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 mt -72.39 -44.86 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.838 0.351 . . . . 0.0 111.29 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 81.0 t90 -64.97 -38.3 90.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -62.91 -44.25 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.902 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.49 -43.69 96.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.46 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.79 -39.97 93.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -62.13 -38.64 89.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.433 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.73 -42.61 97.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.61 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -87.27 -6.26 58.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' O ' ' B' ' 49' ' ' LYS . 96.5 m-85 -146.35 100.8 3.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.515 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' ' CZ ' ' D' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.522 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -91.98 6.74 45.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.402 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -84.05 -2.13 56.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.6 -33.7 76.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -147.97 130.1 15.47 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.09 0.471 . . . . 0.0 110.244 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -49.4 151.25 2.79 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.804 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -48.45 -42.82 34.27 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.278 1.986 . . . . 0.0 112.261 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.2 mp -62.66 -43.33 99.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.818 0.342 . . . . 0.0 110.369 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.88 -46.06 92.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.121 0.486 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.47 -46.65 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.328 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.57 88.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.449 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -40.51 64.85 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.455 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.4 -39.9 95.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.81 -43.48 96.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.639 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 51.4 mm -62.43 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.919 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.36 54.57 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.03 -42.42 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 110.386 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.86 -41.42 91.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.382 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.59 -39.6 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.593 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -60.32 -40.07 89.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.526 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.53 -45.19 94.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.272 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -72.43 -44.88 61.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.375 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.5 t90 -64.75 -38.42 90.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.92 -44.33 99.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.49 -43.46 96.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.412 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -62.04 -40.05 94.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.502 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.456 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.72 -42.6 97.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -87.15 -6.35 58.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.537 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CZ ' ' O ' ' C' ' 49' ' ' LYS . 96.5 m-85 -146.29 100.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.498 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.06 6.72 45.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -83.8 -1.92 55.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.87 -33.56 76.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.736 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.8 m -148.17 130.05 15.24 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.225 0.536 . . . . 0.0 110.302 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -49.3 151.47 2.58 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.76 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.6 -42.92 35.06 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.25 1.967 . . . . 0.0 112.332 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.546 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.1 mp -62.55 -43.51 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.341 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.66 -46.34 92.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.22 -46.74 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.77 87.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.04 -40.71 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.46 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.32 -39.97 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.36 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.76 -43.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 51.3 mm -62.36 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.964 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -51.29 55.02 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.18 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.02 -42.4 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.226 0.536 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -60.08 -41.3 92.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.378 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.587 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.66 -39.53 80.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -60.25 -40.0 88.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.624 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.62 -45.09 94.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.318 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.4 -45.04 61.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 81.1 t90 -64.8 -38.39 90.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.903 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.97 -44.25 99.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.885 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.53 -43.43 97.16 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.46 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.9 -40.2 94.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.508 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -61.8 -38.85 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.48 -42.85 97.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -87.23 -6.13 58.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' O ' ' D' ' 49' ' ' LYS . 96.6 m-85 -146.38 100.47 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.663 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.514 ' O ' ' CZ ' ' B' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -91.72 6.37 46.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -83.68 -1.71 54.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.8 p -66.19 -33.22 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -148.35 130.46 15.42 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.248 0.547 . . . . 0.0 110.185 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 22' ' ' SER . 48.2 m-20 -49.79 151.04 3.37 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.719 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -48.15 -43.01 32.21 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.251 1.967 . . . . 0.0 112.291 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.55 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.1 mp -62.48 -43.48 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.391 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.7 -46.38 92.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.19 -46.58 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.305 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.78 88.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.517 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.27 -40.08 64.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.422 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.75 -39.67 94.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 34.7 mm -65.18 -43.4 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.42 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 51.6 mm -62.41 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.917 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.65 -51.33 54.87 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.14 -42.34 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.219 0.533 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.04 -41.21 91.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.571 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.78 -39.4 80.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.337 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.587 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.47 -39.9 89.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.567 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.67 -45.21 94.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.242 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.28 -45.07 61.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.8 t90 -64.64 -38.51 91.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -62.87 -44.35 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.5 96.24 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.518 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.94 -40.16 94.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -61.97 -38.78 89.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.445 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.56 -42.82 97.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -87.04 -6.62 58.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.533 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.509 ' CZ ' ' O ' ' A' ' 49' ' ' LYS . 96.5 m-85 -146.0 100.83 3.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . 0.418 ' O ' ' CZ ' ' C' ' 48' ' ' PHE . 68.7 mttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.492 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.21 145.15 30.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 35.0 p-10 -87.27 -0.24 56.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 m -60.02 -42.08 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -142.45 102.98 4.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.81 152.38 59.46 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.74 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.51 -36.28 9.7 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.328 2.018 . . . . 0.0 112.067 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.6 mp -64.16 -40.95 97.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.78 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.97 -50.22 81.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.72 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 29' ' ' ALA . 23.3 m -67.93 -41.59 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.53 -39.16 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.513 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.19 98.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.628 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.99 -42.71 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.35 -44.08 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 91.2 mt -63.57 -43.92 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -45.25 96.98 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.46 -42.9 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.138 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.1 -38.55 83.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.002 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.32 -41.33 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.2 mt -60.7 -39.77 89.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.782 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.283 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.57 -43.28 60.21 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.243 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.8 t90 -67.69 -47.17 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.385 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.626 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.8 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.061 0.458 . . . . 0.0 110.215 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.84 -43.2 99.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.76 -39.49 94.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 48' ' ' PHE . 32.5 mmt180 -63.74 -39.18 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.66 -44.39 96.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.57 -41.41 69.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 45' ' ' ARG . 85.9 m-85 -124.91 135.08 52.52 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.63 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -82.13 144.54 30.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 34.6 p-10 -87.0 -0.51 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.577 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -59.74 -42.41 93.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.691 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.5 m -142.1 103.8 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.051 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.61 152.34 57.09 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.685 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -44.29 -36.7 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.415 2.077 . . . . 0.0 112.152 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.55 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.6 mp -63.97 -40.99 97.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.01 -50.16 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' B' ' 29' ' ' ALA . 23.4 m -67.94 -41.79 85.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.596 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.42 98.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.643 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.77 -42.81 97.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.3 -44.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.447 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -63.61 -43.85 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.444 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.3 96.88 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -42.84 97.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.93 -38.76 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.98 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -58.33 -41.37 84.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.627 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.3 mt -60.6 -39.87 89.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.71 -44.55 98.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.386 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 50.7 mt -73.51 -43.24 60.51 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.303 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.9 t90 -67.68 -47.24 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.352 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.627 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -63.69 -36.76 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 110.214 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.82 -43.21 99.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.681 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.4 94.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.404 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' B' ' 48' ' ' PHE . 32.6 mmt180 -63.72 -39.19 93.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.75 -44.31 96.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.72 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.65 -41.42 68.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.713 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 86.4 m-85 -124.74 135.2 52.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.671 179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -81.9 144.6 30.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 33.7 p-10 -86.82 -0.56 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.434 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -59.88 -42.01 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.708 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 70.0 m -142.44 103.2 4.21 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.072 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.05 152.36 58.67 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.678 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.44 -36.54 9.79 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.327 2.018 . . . . 0.0 112.173 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.558 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.6 mp -63.93 -40.94 97.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.425 HG22 ' H3 ' ' A' ' 100' ' ' A2Y . 77.4 t -60.99 -50.08 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.781 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.409 HG23 ' N ' ' C' ' 29' ' ' ALA . 23.1 m -68.12 -41.52 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.669 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.409 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.56 -38.99 93.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.38 98.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.91 -42.9 97.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.656 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.17 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.43 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.4 mt -63.51 -43.96 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.406 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -45.33 96.8 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.54 -42.88 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.411 . . . . 0.0 110.035 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.0 -38.59 83.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.036 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.41 -41.26 84.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.238 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.616 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.6 -39.98 90.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.61 -44.56 98.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.374 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.58 -43.34 59.99 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.766 -0.373 . . . . 0.0 111.189 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.8 t90 -67.52 -47.26 70.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.397 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.2 tt -63.84 -36.73 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 110.168 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.8 -43.14 99.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.742 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.5 94.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.532 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' PHE . 32.4 mmt180 -63.75 -39.12 93.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.92 -44.24 96.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.7 -41.22 68.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.734 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ARG . 86.6 m-85 -125.02 135.08 52.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.616 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.528 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -81.95 144.49 30.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 34.2 p-10 -86.77 -0.52 56.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.457 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -59.81 -42.33 93.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 69.1 m -142.2 103.35 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -85.24 152.37 58.15 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.619 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.33 -36.71 9.63 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.271 1.981 . . . . 0.0 112.089 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.547 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.6 mp -63.82 -41.2 97.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.9 t -60.7 -50.09 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.966 0.412 . . . . 0.0 110.8 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.417 HG23 ' N ' ' D' ' 29' ' ' ALA . 22.7 m -68.01 -41.73 84.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.585 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.417 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.51 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.595 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.508 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.89 -42.83 97.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.18 -44.17 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.4 mt -63.67 -43.78 98.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.545 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.29 96.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.48 -42.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.905 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.23 -41.37 83.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.387 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.633 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.3 mt -60.5 -39.94 89.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.56 -44.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.169 -0.613 . . . . 0.0 110.354 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.68 -43.2 60.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.297 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -67.45 -47.31 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.633 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -63.75 -36.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.09 0.472 . . . . 0.0 110.265 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.74 -43.18 99.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.741 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.87 -39.42 94.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' D' ' 48' ' ' PHE . 32.6 mmt180 -63.79 -39.05 93.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.78 -44.48 96.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.036 0.446 . . . . 0.0 110.667 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.5 -41.29 69.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.805 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' D' ' 45' ' ' ARG . 86.0 m-85 -124.87 135.21 52.68 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.547 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 58.7 mttp . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.616 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.425 ' H3 ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.79 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.545 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 40.0 p-10 -69.27 -2.94 11.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.722 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.5 t -61.69 -43.66 98.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.553 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 m -148.9 124.3 10.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.07 150.14 89.96 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.13 -21.59 48.52 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.292 1.995 . . . . 0.0 112.183 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.722 HD11 ' ND2' ' B' ' 31' ' ' ASN . 55.9 tp -62.65 -43.26 99.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.6 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.9 -44.19 97.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 0.0 110.534 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.93 -43.81 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.673 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.8 98.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.724 ' ND2' HD11 ' D' ' 26' ' ' LEU . 43.9 t30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.922 0.392 . . . . 0.0 110.652 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -42.76 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.365 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.36 -43.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.489 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.89 -45.16 94.85 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.96 -43.05 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.944 0.402 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.48 -38.17 86.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.047 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.38 -41.67 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.917 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.6 mt -61.64 -39.49 91.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.114 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.87 -44.61 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.553 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -74.15 -46.23 43.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.381 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 66.0 t90 -63.68 -46.7 84.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.511 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.8 tt -65.31 -37.81 81.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.134 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.15 -42.73 99.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 64.7 t0 -60.73 -43.97 97.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.29 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 24.7 mmt85 -66.92 -24.83 66.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.633 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.2 tt -61.04 -45.44 94.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.185 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 85.3 m-85 -68.9 -72.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.58 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 95.8 m-85 -156.42 159.44 38.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.656 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.596 179.863 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.77 -38.06 89.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 39.8 p-10 -69.35 -2.99 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.6 t -61.52 -43.66 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.0 m -148.93 124.34 10.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.117 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.11 150.2 89.89 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.342 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.26 -21.44 47.94 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.412 2.074 . . . . 0.0 112.164 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.701 HD11 ' ND2' ' C' ' 31' ' ' ASN . 57.0 tp -62.83 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.529 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.98 -44.17 97.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -62.98 -43.71 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.19 84.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.577 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.91 98.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.722 ' ND2' HD11 ' A' ' 26' ' ' LEU . 44.3 t30 -64.39 -42.57 96.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.666 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.6 -42.82 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.443 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.41 -43.82 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.576 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.02 -45.18 94.6 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.0 -42.91 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.43 -38.21 86.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -58.53 -41.67 86.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.845 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.54 -39.44 91.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.44 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.56 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -74.05 -46.52 42.72 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.9 t90 -63.44 -46.7 85.09 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.673 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.8 tt -65.25 -37.83 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.085 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.24 -42.78 99.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.579 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.455 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 64.7 t0 -60.7 -43.92 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.345 . . . . 0.0 110.269 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 24.8 mmt85 -66.76 -25.04 66.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.584 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -61.23 -45.31 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.086 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 85.3 m-85 -68.72 -72.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.605 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 95.5 m-85 -156.39 159.52 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.566 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -63.76 -38.03 89.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.554 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -69.35 -3.09 12.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 40.2 t -61.32 -43.82 98.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -148.92 124.31 10.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.121 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.11 150.14 89.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.337 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -67.16 -21.49 48.49 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.451 2.101 . . . . 0.0 112.21 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.689 HD11 ' ND2' ' D' ' 31' ' ' ASN . 57.6 tp -62.88 -43.02 99.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.537 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.02 -44.33 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.396 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.85 -43.82 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -40.18 83.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.592 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.701 ' ND2' HD11 ' B' ' 26' ' ' LEU . 44.0 t30 -64.53 -42.56 95.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.54 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.7 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.369 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.9 mm -62.33 -43.9 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.614 -179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -45.28 94.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.94 -42.91 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.979 0.419 . . . . 0.0 110.186 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.65 -37.99 86.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.959 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.627 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -41.63 86.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.941 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.7 mt -61.52 -39.52 91.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.1 -44.45 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.496 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 tp -74.19 -46.42 42.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.312 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 66.3 t90 -63.58 -46.62 85.02 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.661 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.8 tt -65.18 -37.85 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.089 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.23 -42.64 99.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.441 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 64.8 t0 -60.78 -43.84 97.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 0.0 110.274 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.455 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 24.7 mmt85 -66.93 -24.9 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.546 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.623 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.3 tt -61.16 -45.4 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.997 0.427 . . . . 0.0 110.159 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 85.2 m-85 -68.89 -72.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.543 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.454 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 95.8 m-85 -156.39 159.48 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.596 179.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.64 -38.24 90.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.53 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 40.2 p-10 -69.14 -3.12 12.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -61.43 -43.8 98.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 64.1 m -148.77 124.32 10.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.178 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.02 150.11 90.06 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.251 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -67.23 -21.54 48.0 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.362 2.041 . . . . 0.0 112.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.724 HD11 ' ND2' ' A' ' 31' ' ' ASN . 56.5 tp -62.85 -43.08 99.74 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.541 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.87 -44.37 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.96 -43.69 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.446 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.14 84.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.556 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.76 97.79 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.689 ' ND2' HD11 ' C' ' 26' ' ' LEU . 43.9 t30 -64.34 -42.64 96.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.71 -42.85 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.345 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.9 mm -62.36 -43.84 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.583 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.06 -45.07 94.83 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.13 -42.84 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.47 -38.21 86.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.025 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -58.6 -41.64 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.627 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -61.55 -39.44 91.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.03 -44.42 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.48 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -74.27 -46.42 41.47 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 66.3 t90 -63.45 -46.72 84.96 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.554 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.8 tt -65.22 -37.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.095 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.24 -42.56 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.762 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.463 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.0 t0 -60.8 -43.92 97.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.353 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 24.8 mmt85 -66.85 -24.9 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.618 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.628 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.3 tt -61.32 -45.23 95.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.863 0.363 . . . . 0.0 110.173 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 85.4 m-85 -68.82 -72.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.645 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 95.4 m-85 -156.4 159.54 38.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.653 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.11 -41.12 99.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.486 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.01 -42.33 99.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -60.99 -43.19 99.2 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.639 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -78.7 86.85 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.237 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.45 151.11 82.95 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.179 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -67.79 -18.73 47.48 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.49 2.127 . . . . 0.0 112.124 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -61.8 -49.83 74.75 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.844 0.354 . . . . 0.0 110.524 -179.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.93 -43.9 89.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.44 -43.95 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.51 74.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.515 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.6 95.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.92 -44.46 92.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.532 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.529 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.3 mt -61.9 -42.67 95.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.13 -44.41 83.7 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.72 -43.14 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.648 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.59 -42.61 99.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.522 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.13 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD21 ' ND1' ' D' ' 37' ' ' HIS . 1.4 mt -60.19 -39.16 85.53 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.74 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.72 -45.23 99.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.247 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' C ' HH22 ' B' ' 45' ' ' ARG . 85.3 mt -67.55 -43.46 80.64 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.477 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 89.9 t90 -68.59 -37.76 80.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.323 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.96 -46.1 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.32 90.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.385 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -50.18 -45.32 53.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.513 HH22 ' C ' ' D' ' 40' ' ' LEU . 41.0 ttm180 -63.11 -37.42 87.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.0 tt -60.0 -43.78 94.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.14 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -61.29 -46.2 91.3 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.551 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.6 m-85 -133.05 136.28 45.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.391 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.718 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.96 -41.24 99.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.632 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -63.06 -42.48 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.545 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -60.82 -43.17 98.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 37.6 t -78.76 86.91 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.173 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.46 151.19 82.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.153 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -67.9 -18.67 46.83 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.468 2.112 . . . . 0.0 112.07 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.3 OUTLIER -61.87 -49.77 74.92 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.777 0.322 . . . . 0.0 110.523 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.01 -43.97 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.423 . . . . 0.0 110.434 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.37 -44.13 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.48 -49.61 74.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.65 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.48 92.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.786 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.69 -42.72 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.521 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.9 mt -62.07 -42.69 95.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.56 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.36 83.37 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 mm -66.79 -42.98 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.63 -42.68 99.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.53 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -61.05 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.545 HD21 ' ND1' ' A' ' 37' ' ' HIS . 1.4 mt -60.11 -39.19 85.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.795 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.67 -45.22 99.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.136 -0.625 . . . . 0.0 110.26 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.41 ' C ' HH22 ' C' ' 45' ' ' ARG . 85.8 mt -67.5 -43.77 80.09 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.341 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.5 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 89.8 t90 -68.43 -37.66 80.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.311 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.04 -45.99 94.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -38.38 90.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.293 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -50.15 -45.32 53.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.883 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.514 HH22 ' C ' ' A' ' 40' ' ' LEU . 41.1 ttm180 -63.06 -37.42 87.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.627 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.0 tt -60.0 -43.92 94.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.083 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -61.23 -46.28 91.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.535 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.6 m-85 -132.96 136.27 45.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.425 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.719 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.06 -41.23 99.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.495 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -63.04 -42.47 99.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -60.87 -43.3 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 37.3 t -78.84 86.9 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.142 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.43 151.17 83.03 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.172 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -67.82 -18.72 47.33 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.505 2.137 . . . . 0.0 112.103 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.532 HD13 ' O ' ' C' ' 26' ' ' LEU . 0.2 OUTLIER -61.78 -49.83 74.78 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.874 0.369 . . . . 0.0 110.664 -179.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 81.9 t -66.81 -44.07 89.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.409 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.4 -44.01 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.584 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -49.53 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.479 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.68 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -63.84 -44.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.508 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 89.8 mt -62.03 -42.53 95.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.33 -44.3 84.66 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.76 -43.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.762 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.75 -42.69 99.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.491 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.1 t60 -60.89 -43.23 98.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.654 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' B' ' 37' ' ' HIS . 1.4 mt -60.29 -39.28 86.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.67 -45.12 99.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.538 ' C ' HH22 ' D' ' 45' ' ' ARG . 85.9 mt -67.46 -43.64 80.56 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.335 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.496 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.72 80.15 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.402 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -59.89 -46.31 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.25 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -50.16 -45.2 53.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.906 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' C' ' 48' ' ' PHE . 41.1 ttm180 -63.19 -37.4 87.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.617 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.0 tt -59.94 -43.86 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.13 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -61.29 -46.09 91.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.6 m-85 -133.16 136.38 45.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.972 0.415 . . . . 0.0 110.297 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 pttm . . . . . 0 C--O 1.222 -0.369 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.779 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.97 -41.32 99.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.98 -42.49 99.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.519 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.695 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 37.7 t -78.79 86.94 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.207 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.55 151.27 82.8 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.1 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -67.87 -18.7 47.02 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.487 2.124 . . . . 0.0 112.057 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.536 HD13 ' O ' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -61.75 -49.89 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.596 -179.227 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -66.97 -43.89 88.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.018 0.437 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.43 -44.06 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.514 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.57 74.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.6 95.15 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.548 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.92 -44.62 92.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.56 -42.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.413 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.0 mt -61.92 -42.65 95.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.58 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.41 84.15 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.68 -43.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.704 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.73 -42.77 99.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.43 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.552 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.95 -43.2 99.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.785 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.508 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.4 mt -60.24 -39.0 85.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.86 -45.25 99.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.166 -0.613 . . . . 0.0 110.274 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.513 ' C ' HH22 ' A' ' 45' ' ' ARG . 85.4 mt -67.44 -43.68 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.491 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 89.8 t90 -68.56 -37.67 80.12 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.325 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.95 -46.18 94.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.77 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.362 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -50.18 -45.2 53.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.87 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.538 HH22 ' C ' ' C' ' 40' ' ' LEU . 41.1 ttm180 -63.19 -37.61 87.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.701 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.631 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.0 tt -59.79 -43.88 94.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.174 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -61.31 -46.14 91.52 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.5 m-85 -132.97 136.12 45.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.983 0.42 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.2 pttm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.792 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.56 -40.26 96.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.46 -33.94 77.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.5 p -58.15 -33.89 69.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -75.89 -136.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -102.64 104.28 37.57 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.174 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -51.12 -38.78 60.99 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.818 1.678 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -63.32 -42.01 98.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.303 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.33 -49.49 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.938 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 29' ' ' ALA . 24.0 m -68.43 -42.06 83.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -63.77 -38.78 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.579 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB2' HD22 ' B' ' 31' ' ' ASN . . . -61.83 -41.74 98.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.411 HD22 ' HB2' ' D' ' 30' ' ' ALA . 18.7 t-20 -64.77 -43.44 93.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.22 -44.12 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -64.52 -43.71 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.31 95.65 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.93 -42.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.006 0.431 . . . . 0.0 110.132 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.82 -38.05 84.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.699 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.53 -42.1 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.041 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.5 mt -61.17 -39.83 91.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.403 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.1 -44.75 59.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.266 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.0 t90 -66.14 -45.78 79.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -64.32 -41.11 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.048 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 42.5 mt -64.64 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.438 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CG ' ' NH2' ' B' ' 45' ' ' ARG . 91.6 m-20 -61.32 -36.72 80.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' D' ' 44' ' ' ASP . 17.2 mmm180 -60.66 -37.63 82.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.404 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.67 -41.1 98.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.538 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 48.1 m-85 -92.34 -3.12 55.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.587 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 97.0 m-85 -155.16 83.55 1.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.481 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.64 -40.14 96.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.43 -33.89 76.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.27 -33.72 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -76.0 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.52 104.39 37.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.359 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -51.13 -38.77 61.04 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.814 1.676 . . . . 0.0 112.368 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.522 HD12 ' N ' ' B' ' 26' ' ' LEU . 10.5 mp -63.48 -42.1 98.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.38 -49.41 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.767 0.318 . . . . 0.0 110.949 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 29' ' ' ALA . 24.5 m -68.29 -42.2 84.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.922 0.392 . . . . 0.0 110.581 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.428 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -63.74 -38.72 92.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.612 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' C' ' 31' ' ' ASN . . . -61.86 -41.83 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.377 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.43 HD22 ' HB2' ' A' ' 30' ' ' ALA . 18.8 t-20 -64.77 -43.5 93.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.722 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.1 -44.13 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 110.494 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.453 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.3 mt -64.48 -43.74 96.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -45.1 95.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -64.1 -42.64 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.996 0.426 . . . . 0.0 110.037 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.75 -37.95 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.845 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.624 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.6 -42.24 87.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.944 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.5 mt -61.13 -39.82 91.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.029 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.4 -44.31 99.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.456 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -73.18 -44.93 59.11 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.107 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -65.99 -45.74 80.5 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.2 tt -64.43 -41.1 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.919 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.417 ' N ' HG23 ' B' ' 42' ' ' ILE . 42.6 mt -64.67 -38.44 91.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.41 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.443 ' CG ' ' NH2' ' C' ' 45' ' ' ARG . 91.9 m-20 -61.36 -36.74 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.529 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 44' ' ' ASP . 17.3 mmm180 -60.5 -37.75 82.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.468 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -40.98 98.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 48.3 m-85 -92.29 -3.16 55.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.551 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 97.0 m-85 -155.09 83.54 1.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.375 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.521 179.738 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.58 -40.23 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.446 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.64 -33.63 76.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.609 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 53.3 p -58.3 -33.93 70.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.486 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.9 t -75.81 -136.54 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.53 104.26 36.97 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.258 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.06 -38.86 60.53 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.849 1.7 . . . . 0.0 112.427 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.541 HD12 ' N ' ' C' ' 26' ' ' LEU . 10.4 mp -63.27 -42.25 99.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.236 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -62.25 -49.4 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 110.963 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' C' ' 29' ' ' ALA . 24.1 m -68.35 -42.15 84.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.961 0.41 . . . . 0.0 110.529 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -63.69 -38.95 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.515 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.75 98.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.438 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.48 HD22 ' HB2' ' B' ' 30' ' ' ALA . 18.5 t-20 -64.79 -43.53 92.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.695 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.95 -44.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 90.3 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.88 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.34 95.71 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.92 -42.72 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 110.131 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.93 -37.91 83.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.803 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -58.57 -42.15 87.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.96 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.624 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.16 -39.79 91.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.109 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.31 -44.36 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.463 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.532 ' O ' HD13 ' C' ' 40' ' ' LEU . 0.2 OUTLIER -73.06 -44.99 59.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.182 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 69.8 t90 -65.97 -45.75 80.57 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.517 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -64.33 -41.21 91.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.015 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 42.6 mt -64.66 -38.43 90.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' D' ' 45' ' ' ARG . 91.8 m-20 -61.22 -36.81 80.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.709 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NH2' ' CG ' ' B' ' 44' ' ' ASP . 17.1 mmm180 -60.61 -37.48 81.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.534 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.75 -41.19 99.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 48.3 m-85 -92.19 -3.16 55.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.574 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.402 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 96.9 m-85 -155.1 83.51 1.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.427 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.504 179.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.51 -40.2 96.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.58 -33.7 76.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 53.3 p -58.27 -33.91 69.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.483 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -75.86 -136.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 104.43 38.39 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.07 -38.96 60.87 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.841 1.694 . . . . 0.0 112.318 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.544 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -63.34 -41.99 98.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 -179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.38 -49.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 111.074 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 29' ' ' ALA . 24.2 m -68.37 -42.03 83.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.432 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -63.83 -38.89 92.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.494 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.411 ' HB2' HD22 ' A' ' 31' ' ' ASN . . . -61.82 -41.74 98.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.457 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.69 -43.5 93.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.704 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.08 -44.19 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.942 0.401 . . . . 0.0 110.483 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.1 mt -64.64 -43.55 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.34 95.59 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.95 -42.78 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.982 0.42 . . . . 0.0 110.026 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.87 -37.88 83.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.695 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.69 -42.12 87.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.949 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -61.14 -39.93 91.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.415 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.531 HD13 ' O ' ' D' ' 40' ' ' LEU . 0.2 OUTLIER -73.09 -44.89 59.85 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.157 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.1 t90 -66.08 -45.81 79.94 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.526 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.1 tt -64.3 -41.19 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.931 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.413 ' N ' HG23 ' D' ' 42' ' ' ILE . 43.6 mt -64.59 -38.55 91.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.447 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 45' ' ' ARG . 92.5 m-20 -61.23 -36.63 80.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.667 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' C' ' 44' ' ' ASP . 17.3 mmm180 -60.72 -37.52 81.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.76 -41.05 99.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.4 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 48.3 m-85 -92.2 -3.28 55.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 96.9 m-85 -155.06 83.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . 0.4 ' O ' ' CD1' ' C' ' 48' ' ' PHE . 53.6 mtmt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.482 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 47.2 p30 -66.61 -24.75 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.743 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 94.6 m-20 -84.14 -2.76 57.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.582 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.8 p -62.21 -27.71 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.69 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.3 p -151.46 125.18 9.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.62 153.97 81.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.436 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.56 -18.11 58.58 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.667 2.245 . . . . 0.0 111.946 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.38 -39.95 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.427 ' CG1' ' H3 ' ' A' ' 100' ' ' A2Y . 89.4 t -60.77 -45.62 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.782 0.325 . . . . 0.0 110.48 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.25 -45.06 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.6 97.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.89 -42.2 97.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.09 96.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.9 mm -62.82 -44.02 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.371 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -47.86 82.64 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.6 -42.68 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.211 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.47 -40.27 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.112 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -57.78 -40.99 81.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.082 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.0 mt -60.38 -39.55 87.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.978 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.61 -44.7 99.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.338 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.3 -44.32 59.31 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.278 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.39 -47.14 74.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.363 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.0 tt -64.56 -33.84 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.47 -43.95 97.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.267 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -64.27 -40.9 96.91 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.58 -22.29 61.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.28 -43.13 99.53 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.433 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -93.94 -0.99 55.3 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.584 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -147.56 84.1 1.55 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.488 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.218 -0.594 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.404 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 47.1 p30 -66.58 -24.93 66.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 94.3 m-20 -83.87 -2.76 57.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -62.18 -27.83 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.8 p -151.46 125.17 9.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.58 154.03 81.16 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.441 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.54 -18.11 58.65 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.687 2.258 . . . . 0.0 111.9 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.52 -39.87 94.92 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.93 -45.37 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.428 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.44 -45.12 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.415 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.85 96.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.747 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.8 97.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.73 -42.23 97.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.626 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.77 -43.05 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.8 mm -62.87 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.58 84.47 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.73 -42.66 96.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.888 0.375 . . . . 0.0 110.12 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.54 -40.16 90.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.132 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.05 81.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.121 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.39 -39.53 87.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.56 -44.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.281 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.484 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.3 mp -73.26 -44.33 59.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.269 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.5 t90 -66.4 -47.14 74.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.467 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.9 tt -64.51 -33.75 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.859 0.361 . . . . 0.0 110.256 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.32 -44.13 97.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -64.09 -40.81 97.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.678 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.71 -22.37 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.38 -42.99 99.85 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.396 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -93.96 -1.1 55.12 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -147.34 84.02 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.386 179.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 46.9 p30 -66.74 -24.8 66.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.668 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 94.5 m-20 -83.92 -2.89 57.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -62.11 -27.89 69.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 70.2 p -151.32 125.21 9.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.7 154.11 81.45 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.325 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.6 -18.05 58.26 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.61 2.207 . . . . 0.0 112.025 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.39 -40.01 95.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.578 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.84 -45.54 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.12 -45.32 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.9 96.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.8 -41.88 97.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.78 -42.16 97.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.542 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.85 -43.12 96.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.8 mm -62.68 -44.06 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.56 84.91 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.65 -42.71 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.206 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.6 -40.01 90.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.108 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.597 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.83 -41.08 81.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.165 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.1 mt -60.4 -39.6 87.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.49 -44.71 99.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.316 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.483 ' N ' HD12 ' C' ' 40' ' ' LEU . 11.3 mp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.192 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.432 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.35 -47.16 74.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.463 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.9 tt -64.44 -33.82 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.853 0.359 . . . . 0.0 110.214 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.26 -44.12 97.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -64.15 -40.94 97.22 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -71.58 -22.36 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.434 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -93.96 -1.13 55.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.37 83.92 1.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.514 179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' D' ' 22' ' ' SER . 33.2 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 47.0 p30 -66.75 -24.83 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.648 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 94.2 m-20 -84.0 -2.81 57.32 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.624 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' D' ' 19' ' ' SER . 78.4 p -62.23 -27.71 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 68.8 p -151.47 125.22 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.68 154.01 81.67 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.433 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.57 -18.04 58.39 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.708 2.272 . . . . 0.0 111.965 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.53 -39.97 95.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.449 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.94 -45.32 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.3 -45.28 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.443 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.02 -39.82 95.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.66 97.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.758 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.76 -42.09 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.647 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.83 -43.12 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.8 mm -62.92 -43.91 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.93 -47.68 83.49 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.57 -42.78 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.957 0.408 . . . . 0.0 110.189 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.52 -39.95 89.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -57.81 -41.1 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.096 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.0 mt -60.62 -39.36 87.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.6 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.309 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.478 HD12 ' N ' ' D' ' 40' ' ' LEU . 11.3 mp -73.28 -44.43 59.25 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.318 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.0 t90 -66.36 -47.04 74.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.496 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.9 tt -64.55 -33.85 65.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.188 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.27 -44.09 97.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.326 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -64.26 -40.88 96.91 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.461 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -71.69 -22.18 61.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.35 -43.02 99.79 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.403 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -94.03 -1.09 55.0 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.938 0.399 . . . . 0.0 110.563 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -147.38 83.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.407 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.427 ' H3 ' ' CG1' ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 23' ' ' SER . 65.9 t30 57.65 40.44 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -72.44 -20.16 61.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -63.57 -34.01 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 19.9 m -150.98 135.35 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.1 148.99 48.41 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.64 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.25 -40.33 21.81 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 121.826 1.684 . . . . 0.0 112.37 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.15 -41.83 89.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.81 -50.25 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.137 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 29' ' ' ALA . 14.8 p -69.55 -42.23 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.256 0.551 . . . . 0.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -61.53 -41.33 97.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.671 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.32 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.624 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -64.61 -42.86 95.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.26 -44.43 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.375 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 89.6 mt -63.96 -44.12 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.28 94.16 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.58 -43.06 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.793 0.33 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.44 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -57.72 -41.95 82.82 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.5 mm -60.62 -45.88 96.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.697 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.97 -46.34 44.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 68.0 t90 -62.13 -48.09 81.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.278 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.6 tt -65.79 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.227 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 50.5 tp -63.07 -42.31 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.776 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.72 -44.72 90.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.549 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' PHE . 43.0 ttm180 -68.42 -20.22 64.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.694 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.3 tt -62.61 -49.83 73.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.242 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.62 -45.49 86.68 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.946 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ARG . 64.8 m-85 -109.82 121.53 45.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.424 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' B' ' 23' ' ' SER . 65.7 t30 57.58 40.49 26.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.669 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.62 -20.11 61.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -63.54 -33.94 76.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.462 ' O ' ' ND2' ' B' ' 20' ' ' ASN . 20.2 m -151.2 135.32 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.17 149.01 49.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -46.1 -40.39 21.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.913 1.742 . . . . 0.0 112.413 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -41.87 89.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.989 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.81 -50.24 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.184 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.501 HG13 ' N ' ' B' ' 29' ' ' ALA . 14.8 p -69.62 -42.28 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.123 0.487 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.501 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -61.49 -41.07 96.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.79 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.36 99.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.533 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.6 -42.93 95.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.1 -44.4 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.478 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.442 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 90.7 mt -64.13 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.36 -46.42 93.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.51 -43.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.176 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.27 -38.05 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -57.71 -41.78 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.9 mt -60.7 -40.07 90.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 33.6 mm -60.66 -45.91 96.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.727 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 tp -73.93 -46.19 45.83 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 68.0 t90 -62.14 -48.22 81.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.248 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.573 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.7 tt -65.74 -40.43 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.243 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.01 -42.33 99.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -58.76 -44.65 90.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.506 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' B' ' 48' ' ' PHE . 43.0 ttm180 -68.47 -20.29 64.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.577 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -62.52 -50.0 73.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.899 0.38 . . . . 0.0 110.197 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.63 -45.36 87.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' B' ' 45' ' ' ARG . 64.7 m-85 -109.9 121.54 45.46 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.433 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' C' ' 23' ' ' SER . 65.9 t30 57.63 40.42 26.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -72.49 -20.07 61.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -63.66 -33.98 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' C' ' 20' ' ' ASN . 20.1 m -151.01 135.47 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.26 148.92 50.48 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.641 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -46.05 -40.51 20.85 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.93 1.753 . . . . 0.0 112.321 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.15 -41.85 89.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.04 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.95 -50.07 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.086 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.511 HG13 ' N ' ' C' ' 29' ' ' ALA . 14.8 p -69.72 -42.21 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.141 0.496 . . . . 0.0 110.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.511 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -61.46 -41.33 97.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.715 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.38 99.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.52 -42.9 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.11 -44.38 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -64.09 -44.01 97.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.31 -46.56 93.65 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.52 -43.03 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.27 -38.1 82.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.04 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -57.89 -41.68 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.7 mt -60.67 -40.22 91.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mm -60.78 -45.8 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.687 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.83 -46.18 46.63 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.181 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 67.7 t90 -62.26 -48.18 81.06 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.218 -179.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.6 tt -65.65 -40.64 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.137 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 50.2 tp -62.98 -42.43 99.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.58 -44.66 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.615 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' C' ' 48' ' ' PHE . 43.0 ttm180 -68.62 -20.18 64.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.567 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.3 tt -62.49 -50.07 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.272 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -64.52 -45.37 87.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' C' ' 45' ' ' ARG . 64.8 m-85 -109.83 121.54 45.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.543 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.556 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' D' ' 23' ' ' SER . 65.7 t30 57.66 40.43 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -72.62 -20.07 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -63.62 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' D' ' 20' ' ' ASN . 20.2 m -151.08 135.18 16.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.77 149.1 44.26 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.712 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -46.33 -40.4 22.25 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.908 1.739 . . . . 0.0 112.352 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.17 -41.85 89.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.101 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.507 HG13 ' N ' ' D' ' 29' ' ' ALA . 14.9 p -69.66 -42.1 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.128 0.49 . . . . 0.0 110.402 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.507 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.683 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -64.63 -42.85 95.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.29 -44.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 90.7 mt -64.06 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.38 -46.41 93.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.42 -43.23 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 110.123 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.32 -38.05 82.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.598 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -57.93 -41.65 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.0 mt -60.63 -40.16 90.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.055 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.7 mm -60.67 -45.83 96.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.713 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.97 -46.29 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 67.7 t90 -62.17 -48.23 80.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.578 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.6 tt -65.67 -40.46 87.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.175 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.402 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 50.5 tp -63.0 -42.44 99.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.7 -44.68 90.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.496 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 43.0 ttm180 -68.63 -20.18 64.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.628 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.578 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.3 tt -62.6 -49.81 73.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.18 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.85 -45.13 87.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.911 0.386 . . . . 0.0 110.963 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 65.3 m-85 -109.94 121.43 45.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.38 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -136.06 106.76 6.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.441 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 36.9 p-10 -88.75 -0.47 57.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.463 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -61.59 -43.97 97.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -134.79 113.5 11.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.116 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 154.58 94.2 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.531 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -48.39 -37.79 33.36 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.699 1.599 . . . . 0.0 111.958 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 26' ' ' LEU . 4.1 mm? -64.08 -40.75 96.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG22 ' S ' ' A' ' 100' ' ' A2Y . 67.3 t -62.67 -50.41 79.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.566 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 29' ' ' ALA . 9.2 p -70.81 -43.46 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.299 0.571 . . . . 0.0 110.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -58.61 -46.26 87.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.673 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.23 96.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.45 -43.68 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.32 -44.19 97.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.446 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 95.2 mt -64.81 -43.7 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -45.29 93.24 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.78 -42.73 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.021 0.439 . . . . 0.0 110.053 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.76 83.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.57 -41.59 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.87 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -61.11 -39.39 89.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.93 -49.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.33 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.15 -44.16 72.86 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.2 t90 -65.88 -36.65 84.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 111.022 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mt -61.61 -42.82 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.15 -40.03 92.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 93.6 m-20 -64.19 -30.85 71.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 61.0 ttt85 -58.14 -38.2 76.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.199 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.02 -41.9 97.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.421 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 44.2 m-85 -87.61 -2.13 58.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.542 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' PHE . 87.6 m-85 -156.9 70.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -136.11 106.8 6.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -88.85 -0.37 57.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.442 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.78 -43.69 98.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.632 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -134.89 113.43 11.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.074 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.94 154.64 94.13 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -48.28 -37.78 32.51 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.813 1.675 . . . . 0.0 112.015 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.518 HD22 ' N ' ' B' ' 26' ' ' LEU . 4.1 mm? -64.13 -40.79 96.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.573 HG22 ' S ' ' A' ' 100' ' ' A2Y . 57.3 t -62.78 -50.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.423 -178.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 29' ' ' ALA . 9.2 p -70.79 -43.45 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.241 0.543 . . . . 0.0 110.2 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.528 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -58.71 -46.21 87.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.698 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -40.14 96.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -64.56 -43.7 93.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.28 -44.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.338 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 96.1 mt -64.81 -43.81 96.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.782 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.3 93.42 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.65 -42.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.074 0.464 . . . . 0.0 110.031 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.96 -37.69 83.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.999 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.5 -41.7 85.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.812 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.599 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.06 -39.45 89.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.88 -49.8 79.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.314 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -69.08 -44.33 72.75 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.465 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 85.4 t90 -65.77 -36.7 84.3 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.668 0.27 . . . . 0.0 110.931 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.76 -42.69 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.18 -40.04 92.43 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.307 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 93.2 m-20 -64.29 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 61.0 ttt85 -58.03 -38.2 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.26 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.99 -41.92 97.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.484 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 44.1 m-85 -87.58 -2.15 58.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.484 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' B' ' 47' ' ' PHE . 86.8 m-85 -156.89 70.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.445 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.492 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -136.04 106.78 6.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -88.79 -0.36 57.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.512 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.61 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 32.5 t -134.9 113.43 11.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.88 154.63 94.16 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -48.27 -37.87 32.63 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.837 1.691 . . . . 0.0 111.958 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.534 HD22 ' N ' ' C' ' 26' ' ' LEU . 4.0 mm? -64.18 -40.78 96.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.712 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.54 -50.6 79.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.784 0.326 . . . . 0.0 111.406 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.525 HG13 ' N ' ' C' ' 29' ' ' ALA . 9.3 p -70.57 -43.58 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.525 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -58.53 -46.33 87.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.585 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.21 96.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.52 -43.62 93.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.3 -44.24 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.397 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 95.6 mt -64.88 -43.76 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.45 -45.41 93.3 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.72 -42.77 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.063 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.05 -37.74 83.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.985 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.4 -41.56 85.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.906 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -61.29 -39.39 90.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.87 -49.85 79.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.221 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.1 -44.19 72.96 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.1 t90 -65.93 -36.64 83.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.695 0.283 . . . . 0.0 110.9 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.8 mt -61.73 -42.7 95.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.18 -40.15 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.286 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 94.5 m-20 -64.16 -30.89 71.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 61.0 ttt85 -58.06 -38.14 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.98 -41.95 97.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.482 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.483 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 44.0 m-85 -87.65 -2.02 58.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.495 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' C' ' 47' ' ' PHE . 87.2 m-85 -156.93 70.9 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.435 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 62.2 pttt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.59 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -136.06 106.79 6.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 36.6 p-10 -88.89 -0.36 57.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.403 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.77 -43.7 98.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.654 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -134.97 113.4 11.47 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.039 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.88 154.62 94.17 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.455 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.37 -37.87 33.35 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.839 1.693 . . . . 0.0 111.811 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.517 HD22 ' N ' ' D' ' 26' ' ' LEU . 4.0 mm? -64.02 -40.85 97.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.436 HG13 ' H3 ' ' A' ' 100' ' ' A2Y . 65.6 t -62.65 -50.44 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.48 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' D' ' 29' ' ' ALA . 9.2 p -70.73 -43.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.394 0.616 . . . . 0.0 110.28 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -58.75 -46.21 87.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.596 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.48 -43.76 93.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.18 -44.31 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 96.1 mt -64.8 -43.76 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.34 93.41 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.9 -42.7 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.91 -37.78 83.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.978 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.51 -41.56 85.71 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.946 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.9 mt -61.17 -39.39 89.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.83 -49.89 79.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 119.641 -0.823 . . . . 0.0 110.327 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.18 -44.05 72.98 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.452 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 85.2 t90 -65.92 -36.66 83.99 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 110.955 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.7 -42.52 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.36 -40.13 93.14 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.222 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 93.4 m-20 -64.08 -31.04 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 61.0 ttt85 -58.08 -37.99 75.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.31 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.14 -41.92 97.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.353 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.478 ' O ' ' CD2' ' D' ' 48' ' ' PHE . 44.7 m-85 -87.53 -2.23 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.374 . . . . 0.0 110.458 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' D' ' 47' ' ' PHE . 87.6 m-85 -156.84 70.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.583 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 pttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.676 179.863 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.573 ' S ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.94 -40.06 95.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.482 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' SER . 80.7 p -62.11 -43.31 99.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.663 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' SER . 24.5 p 38.64 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.537 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -46.25 144.56 3.09 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.632 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.95 -24.39 39.66 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.245 1.964 . . . . 0.0 112.072 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.23 -44.34 95.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 74.0 t -65.43 -47.1 88.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.496 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 89.9 t -62.78 -45.63 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.25 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.15 82.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.577 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HB1' ' H25' ' A' ' 100' ' ' A2Y . . . -54.15 -50.94 65.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.251 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 27' ' ' VAL . 3.8 p-10 -65.69 -39.95 91.81 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.741 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.484 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.94 -44.29 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.91 -45.25 89.19 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.2 -42.99 97.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.96 -40.94 95.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.57 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.47 -40.87 83.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.14 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.62 -39.18 87.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.25 -44.12 98.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.942 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.1 mm? -73.53 -44.06 58.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.49 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.2 t90 -67.41 -45.34 76.43 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.8 tt -61.87 -38.83 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.396 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -62.04 -43.68 98.31 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.106 -179.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' PHE . 77.9 ttt180 -62.22 -42.55 99.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.1 tt -61.09 -48.22 82.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.967 0.413 . . . . 0.0 110.354 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 43' ' ' LEU . 5.5 m-85 -62.8 -46.41 88.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.373 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 12.1 m-85 -130.51 138.9 50.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.311 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.478 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.9 -39.92 95.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.648 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -61.25 -42.62 98.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.416 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 23' ' ' SER . 80.2 p -62.19 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.437 ' O ' ' O ' ' B' ' 22' ' ' SER . 24.5 p 38.52 93.66 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.582 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -46.25 144.51 3.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.746 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -67.91 -24.27 40.06 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.185 1.923 . . . . 0.0 112.077 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.42 -44.21 95.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.46 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 74.2 t -65.57 -46.95 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.543 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.425 ' O ' ' OD1' ' B' ' 31' ' ' ASN . 86.8 t -62.69 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.27 82.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.6 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.02 65.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.267 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 27' ' ' VAL . 3.8 p-10 -65.64 -40.04 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.711 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.51 -42.92 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.492 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.03 -44.12 98.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.01 -45.33 88.3 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.17 -42.91 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.08 -40.94 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.29 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.43 -40.92 83.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.57 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -60.57 -39.3 87.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.11 -44.22 98.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.937 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.472 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -73.46 -44.05 58.92 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.502 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.0 t90 -67.35 -45.37 76.56 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -61.88 -38.96 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.325 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.95 -43.71 98.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.134 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.53 -41.22 97.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.223 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 48' ' ' PHE . 77.8 ttt180 -62.22 -42.46 99.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.676 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.577 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.1 tt -61.23 -48.1 83.01 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.279 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' B' ' 43' ' ' LEU . 5.4 m-85 -62.88 -46.36 88.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' B' ' 45' ' ' ARG . 12.4 m-85 -130.55 138.9 50.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.504 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.88 -40.0 95.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -61.23 -42.55 98.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.442 ' O ' ' O ' ' C' ' 23' ' ' SER . 80.6 p -62.06 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.442 ' O ' ' O ' ' C' ' 22' ' ' SER . 24.4 p 38.65 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.653 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -46.26 144.56 3.1 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.757 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -67.91 -24.3 39.98 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.299 2.0 . . . . 0.0 112.167 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.29 -44.29 95.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.449 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 72.5 t -65.56 -46.89 88.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.427 ' O ' ' OD1' ' C' ' 31' ' ' ASN . 89.5 t -62.96 -45.58 98.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.204 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.18 82.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.618 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.88 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.269 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' C' ' 27' ' ' VAL . 3.8 p-10 -65.58 -40.18 92.46 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.5 -42.79 97.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.93 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.49 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.15 -45.12 89.14 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.12 -42.99 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.423 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 tp -60.93 -40.96 95.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.607 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.21 -41.29 83.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.105 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.9 mt -60.42 -39.15 86.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.26 -44.25 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.871 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.484 HD22 ' N ' ' C' ' 40' ' ' LEU . 4.1 mm? -73.58 -43.93 58.53 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.494 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.46 -45.32 76.3 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -61.85 -38.93 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.411 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.543 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -43.74 98.19 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.035 -179.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.53 -41.25 97.06 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' C' ' 48' ' ' PHE . 77.7 ttt180 -62.08 -42.63 99.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.738 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.592 ' O ' HD23 ' C' ' 46' ' ' LEU . 2.1 tt -61.08 -48.28 82.43 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.287 -178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' C' ' 43' ' ' LEU . 5.4 m-85 -62.78 -46.37 88.35 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' C' ' 45' ' ' ARG . 12.1 m-85 -130.41 138.91 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.295 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.827 -1.082 . . . . 0.0 110.597 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' D' ' 22' ' ' SER . 13.0 p . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.84 -40.11 95.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.56 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.13 -42.61 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.507 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.437 ' O ' ' O ' ' D' ' 23' ' ' SER . 80.3 p -62.09 -43.35 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.437 ' O ' ' O ' ' D' ' 22' ' ' SER . 24.6 p 38.55 93.73 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.53 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -46.39 144.66 3.16 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.807 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.05 -24.26 39.18 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.198 1.932 . . . . 0.0 112.056 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.49 -44.21 95.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.455 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 70.9 t -65.35 -47.22 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.431 ' O ' ' OD1' ' D' ' 31' ' ' ASN . 89.2 t -62.67 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.246 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.1 82.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.15 -50.72 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.344 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' D' ' 27' ' ' VAL . 3.8 p-10 -65.75 -40.14 91.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.41 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.08 -45.16 89.13 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.18 -42.86 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.07 -41.02 95.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.4 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.607 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.3 mt -60.68 -39.29 87.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.861 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.467 ' N ' HD22 ' D' ' 40' ' ' LEU . 4.0 mm? -73.61 -43.97 58.27 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.48 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.1 t90 -67.45 -45.21 76.65 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.548 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -62.02 -38.83 81.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.442 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.548 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -62.0 -43.68 98.33 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.49 -41.2 96.91 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.94 0.4 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' D' ' 48' ' ' PHE . 77.9 ttt180 -62.17 -42.51 99.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.688 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.594 ' O ' HD23 ' D' ' 46' ' ' LEU . 2.1 tt -61.29 -48.13 82.82 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.95 0.405 . . . . 0.0 110.321 -178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.425 ' CE1' HD11 ' D' ' 43' ' ' LEU . 5.5 m-85 -62.7 -46.46 88.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' D' ' 45' ' ' ARG . 12.1 m-85 -130.45 138.94 50.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.231 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.539 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.414 ' H25' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 46.4 p-10 -113.27 -33.43 5.97 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 68.1 t0 -63.96 -43.16 96.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.685 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -62.31 -43.43 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -151.57 131.75 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' O ' HG22 ' A' ' 27' ' ' VAL . 10.7 m-20 -49.16 149.24 3.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.592 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.35 -15.37 34.86 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.571 2.181 . . . . 0.0 112.313 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.62 -42.35 92.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.94 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 24' ' ' ASP . 3.5 m -62.72 -39.05 83.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 110.449 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 27' ' ' VAL . 91.0 t -61.25 -44.83 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.47 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.44 84.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.477 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.03 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 93.2 m-20 -63.66 -42.66 98.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.18 -43.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.493 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.7 mt -62.17 -43.5 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.891 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.25 99.72 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 39' ' ' ILE . 80.2 mt -61.72 -37.33 83.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.601 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -42.57 87.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.922 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -60.61 -39.82 89.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 36' ' ' LEU . 69.1 mt -59.34 -49.42 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.849 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mp -70.8 -43.38 68.78 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.479 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -66.23 -48.22 71.26 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 38' ' ' LEU . 14.2 tt -65.47 -39.74 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -41.37 97.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.647 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 65.7 t0 -58.34 -47.93 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 90.6 mtt180 -76.39 -21.41 56.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.27 -46.09 90.35 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.824 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -87.4 -41.98 13.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -101.14 146.64 27.22 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.594 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.493 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 46.4 p-10 -113.14 -33.49 5.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.654 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 67.6 t0 -63.82 -43.31 96.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.597 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -62.12 -43.52 98.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -151.55 131.82 13.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.919 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' HG22 ' B' ' 27' ' ' VAL . 10.8 m-20 -49.18 149.25 3.7 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.592 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.43 -15.38 34.59 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.647 2.231 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.71 -42.34 92.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.732 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 24' ' ' ASP . 3.5 m -62.76 -39.14 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.983 0.42 . . . . 0.0 110.446 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.4 ' N ' HG23 ' B' ' 27' ' ' VAL . 91.0 t -61.12 -44.95 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.393 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.36 84.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.12 93.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.633 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.72 -42.52 97.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.788 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.15 -43.19 95.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.421 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 88.5 mt -62.12 -43.55 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.45 99.78 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.78 -43.23 97.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 121.117 0.484 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD23 HD12 ' B' ' 39' ' ' ILE . 80.4 mt -61.7 -37.4 84.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.018 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -58.32 -42.21 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.601 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.0 mt -60.75 -40.08 91.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.464 HD12 HD23 ' B' ' 36' ' ' LEU . 69.1 mt -59.17 -49.61 82.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.699 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.538 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.1 mp -70.52 -43.59 69.31 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.569 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.2 t90 -66.21 -48.17 71.48 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.636 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.53 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.1 tt -65.47 -39.74 86.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.981 0.42 . . . . 0.0 109.981 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.05 -41.3 97.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.46 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 65.6 t0 -58.18 -48.25 80.9 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.1 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.521 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 90.8 mtt180 -76.35 -21.17 56.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.38 -46.04 90.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.839 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -87.44 -41.9 13.21 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -101.17 146.66 27.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.488 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 46.3 p-10 -113.2 -33.36 6.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 68.1 t0 -64.02 -43.24 96.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.606 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -62.14 -43.62 98.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -151.43 131.91 13.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.758 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.408 ' O ' HG22 ' C' ' 27' ' ' VAL . 10.8 m-20 -49.29 149.35 3.82 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.569 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.54 -15.29 34.15 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.639 2.226 . . . . 0.0 112.211 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.66 -42.23 92.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.791 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.408 HG22 ' O ' ' C' ' 24' ' ' ASP . 3.4 m -62.99 -38.83 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.857 0.361 . . . . 0.0 110.464 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.9 t -61.34 -44.96 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.324 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.6 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.476 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.95 92.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.8 -42.64 97.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.643 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.12 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.476 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.09 -43.56 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.24 99.72 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.88 -43.18 97.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.28 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.474 HD23 HD12 ' C' ' 39' ' ' ILE . 80.5 mt -61.69 -37.28 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.067 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.635 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.43 -42.41 87.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.895 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.5 mt -60.73 -39.87 90.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.474 HD12 HD23 ' C' ' 36' ' ' LEU . 69.3 mt -59.18 -49.6 82.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.675 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.537 ' N ' HD12 ' C' ' 40' ' ' LEU . 10.2 mp -70.85 -43.43 68.5 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.46 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.4 t90 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.552 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.528 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.1 tt -65.37 -39.59 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 110.073 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 6.0 tt -62.17 -41.17 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 65.9 t0 -58.38 -48.1 81.71 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.134 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.46 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 90.8 mtt180 -76.27 -21.22 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.295 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.38 -46.06 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.798 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -87.49 -41.91 13.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -101.22 146.62 27.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.562 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 46.5 p-10 -113.15 -33.5 5.98 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 67.6 t0 -63.92 -43.18 96.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.665 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -62.17 -43.56 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t -151.47 131.96 13.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.936 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.46 149.26 4.14 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.471 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.38 -15.36 34.75 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.738 2.292 . . . . 0.0 112.231 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.8 -42.36 93.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.764 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.587 HG21 ' S ' ' A' ' 100' ' ' A2Y . 3.3 m -62.87 -38.84 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.892 0.377 . . . . 0.0 110.515 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.3 -44.93 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.55 84.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.431 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -61.49 -39.83 92.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.78 -42.64 97.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.729 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.1 -43.18 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.416 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 88.2 mt -62.16 -43.44 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -42.37 99.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.82 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 110.196 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.449 HD23 HD12 ' D' ' 39' ' ' ILE . 80.3 mt -61.66 -37.51 84.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.081 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.549 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.52 -42.09 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.89 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.635 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.9 mt -60.62 -40.11 90.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . 0.449 HD12 HD23 ' D' ' 36' ' ' LEU . 68.8 mt -59.14 -49.56 82.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.755 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.543 HD12 ' N ' ' D' ' 40' ' ' LEU . 10.2 mp -70.73 -43.38 69.02 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.513 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.3 t90 -66.22 -48.21 71.3 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.522 HG22 ' O ' ' D' ' 38' ' ' LEU . 14.1 tt -65.51 -39.62 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.058 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.18 -41.32 98.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.539 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 65.6 t0 -58.15 -48.26 80.82 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.077 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 90.7 mtt180 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.28 -46.11 90.25 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.786 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -87.49 -41.75 13.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.152 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.28 146.61 27.32 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.545 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.487 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' A2Y . . . . . 0.587 ' S ' HG21 ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_