data_2mns_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 2mns _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.726 0.298 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 -40.19 95.35 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.02 -38.68 91.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.973 0.416 . . . . 0.0 110.267 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.28 -40.76 98.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.379 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -79.08 -2.1 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -58.79 -45.67 89.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.073 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.41 31.49 0.28 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.26 61.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.432 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.232 0.157 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.3 -28.11 1.52 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.56 -15.92 22.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.484 0.183 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -44.66 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.907 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.08 -47.0 84.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.02 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.73 -45.12 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.844 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.49 17.36 58.64 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.4 70.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.791 0.329 . . . . 0.0 110.976 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.502 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.985 0.422 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.93 -13.99 9.71 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.24 -37.9 89.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.32 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.5 mt -61.71 -38.92 89.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.944 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -57.55 -45.18 85.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.11 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 -40.14 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.29 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 34.67 5.58 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -58.97 -31.08 68.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.531 0.205 . . . . 0.0 110.99 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.51 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.878 0.37 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.5 -34.48 0.54 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -89.5 -9.23 50.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.604 0.24 . . . . 0.0 110.655 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.14 -47.32 85.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -64.13 -44.1 93.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 0.0 109.991 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.72 -46.45 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.858 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -87.89 21.64 22.25 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 37.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.639 0.256 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.986 0.422 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.92 -25.2 1.93 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.86 4.8 53.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 0.0 110.163 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.912 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -59.28 -46.59 88.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.674 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -64.21 -42.83 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.696 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.76 23.59 25.08 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 54.75 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.626 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.99 -6.92 17.25 Favored Glycine 0 N--CA 1.466 0.668 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -89.85 -3.95 57.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 110.226 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.9 mm? -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -61.35 -45.66 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -66.38 -42.43 87.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.948 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.62 25.48 20.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.28 76.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.622 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.617 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.305 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.94 -5.04 49.92 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.47 -5.39 46.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.256 -0.472 . . . . 0.0 110.289 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.35 -41.28 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -78.34 -3.66 44.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -59.49 -45.39 91.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.127 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.78 32.94 0.24 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -12.37 60.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.694 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -11.8 3.08 Favored Glycine 0 N--CA 1.464 0.532 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' ALA . 87.0 mt -86.62 -4.88 59.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.19 -42.98 99.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 7' ' ' GLY . 11.4 t -61.59 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -72.03 13.03 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 81.83 25.86 51.58 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . 58.44 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.72 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.613 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.78 -34.37 0.63 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.0 -40.65 98.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.413 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ALA . 56.8 mt -61.96 -40.2 94.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.214 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -60.39 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -68.43 -38.81 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.371 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.03 12.27 70.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -55.56 81.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.486 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.338 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.35 -17.0 1.01 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -88.05 -1.26 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.739 0.304 . . . . 0.0 110.327 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.179 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 6.12 16.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.79 -46.8 88.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -127.77 -10.71 3.47 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.61 16.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.786 0.326 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.49 -34.85 90.32 Favored Glycine 0 CA--C 1.515 0.054 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.18 -34.87 79.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.92 -40.16 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -76.84 -3.71 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.636 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.68 -46.76 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.55 60.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.732 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.16 -40.95 0.45 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' GLY . 96.9 mt -64.31 -39.71 94.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.37 -44.07 97.32 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.333 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -71.17 -47.44 57.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.36 -49.46 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.24 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -69.74 -39.87 76.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.24 11.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.036 0.446 . . . . 0.0 110.632 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.903 0.382 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 154.53 55.83 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.5 mt 42.33 19.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.864 0.364 . . . . 0.0 110.591 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLY . 56.0 tp -62.83 -43.22 99.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m -60.79 -45.08 95.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -68.12 -41.39 81.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 26.18 19.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.44 75.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.44 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.42 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.231 0.093 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 173.51 50.48 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.2 mt 46.98 13.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.218 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 2' ' ' GLY . 82.6 mt -63.03 -46.06 89.39 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.273 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.334 0.588 . . . . 0.0 109.882 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.08 -47.28 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.485 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -65.53 -31.85 81.46 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.43 80.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 110.576 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -7.44 73.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.36 -11.89 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -62.91 -16.98 61.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.404 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.02 10.42 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.548 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 79.35 34.02 33.71 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.55 -4.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.232 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.913 0.387 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.76 28.75 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -100.0 -3.1 32.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.03 -41.51 99.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 110.017 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -80.31 -1.44 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.84 -46.7 87.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.424 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.74 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.14 21.04 3.36 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.665 0.269 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.831 0.348 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.28 -26.29 0.2 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.95 -13.38 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.701 -0.293 . . . . 0.0 111.326 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.88 -46.62 88.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.132 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -63.81 -43.69 95.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 109.795 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.34 -41.38 98.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.543 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -60.26 -34.53 84.95 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.97 3.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.712 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.547 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.731 0.301 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -146.27 46.17 0.76 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt 43.97 18.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.665 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 2' ' ' GLY . 82.2 mt -62.85 -44.02 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -62.75 -46.02 89.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -69.82 -41.32 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -65.16 -37.44 94.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.77 19.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.92 -37.52 0.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.8 mt -99.56 -17.83 17.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.73 -41.8 97.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -60.08 -46.03 90.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.13 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.09 -41.12 86.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.008 0.432 . . . . 0.0 110.493 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 30.13 9.59 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.45 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.555 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.74 0.305 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.01 -11.92 1.18 Allowed Glycine 0 N--CA 1.466 0.681 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.84 -22.99 63.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.72 0.295 . . . . 0.0 111.135 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.47 -41.24 98.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.244 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -78.61 -2.54 39.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.919 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -59.46 -46.4 88.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.319 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.79 53.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.465 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.367 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.832 0.349 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 171.87 70.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.6 mt 53.42 8.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 110.05 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 2' ' ' GLY . 57.9 tp -62.76 -39.05 92.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.647 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -54.55 -45.24 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -65.02 -42.1 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.011 0.434 . . . . 0.0 110.002 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.77 2.94 38.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.68 -7.45 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.458 0.17 . . . . 0.0 111.152 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.815 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.879 0.371 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 171.38 65.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt 43.93 18.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.435 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -62.67 -43.96 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.657 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -80.05 -2.55 44.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -59.78 -47.08 87.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.435 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.99 42.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.72 92.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.863 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.682 0.277 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.41 79.33 0.05 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt 43.76 28.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.482 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.37 -39.71 95.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -59.08 -44.61 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -63.36 -42.64 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.75 20.67 37.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -8.87 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . -168.02 -31.18 0.02 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.647 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.12 -37.43 82.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.13 -40.58 94.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 2' ' ' GLY . 78.2 p -58.98 -45.53 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.094 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -66.87 -40.19 87.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.39 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 23.06 14.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.55 -39.12 72.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.509 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.621 0.248 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 163.66 34.41 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt 56.15 1.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.539 0.209 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 2' ' ' GLY . 83.3 mt -63.31 -43.71 97.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.976 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -78.05 -24.61 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.49 -46.85 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -64.39 1.22 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.83 25.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.66 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.935 0.398 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.96 -34.48 61.96 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.89 -35.87 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 -179.144 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -42.22 98.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -79.57 1.96 24.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.064 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -59.36 -46.77 87.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.37 -179.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.3 59.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.75 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.84 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.99 57.9 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.38 -37.07 85.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' ALA . 57.2 tp -60.06 -38.36 82.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -58.67 -44.84 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.844 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -64.43 -42.1 96.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.429 . . . . 0.0 110.097 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.63 39.08 3.01 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -57.99 -36.81 73.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.756 -179.385 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.41 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.902 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.75 0.309 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . 171.64 -50.97 0.18 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.36 -34.88 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.7 -40.33 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 2' ' ' GLY . 93.8 p -58.6 -22.37 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.726 -179.072 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.21 12.56 3.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.441 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 27.35 57.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -9.34 43.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.281 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.985 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.04 -42.43 94.63 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.58 -40.19 95.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.476 -0.362 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -50.07 73.7 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -64.85 -45.27 86.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.185 0.517 . . . . 0.0 110.369 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -62.28 -45.44 93.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 30.89 9.34 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.25 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.762 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.62 -71.87 0.3 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.41 -39.57 94.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.269 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.51 -48.09 82.61 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -66.41 -45.22 80.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 110.29 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -63.43 -44.84 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.867 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 4.29 65.67 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.25 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.361 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.763 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.68 -34.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.77 -9.85 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.331 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -63.3 -42.01 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -60.68 -45.92 92.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -65.0 -43.07 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 110.091 179.415 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.12 31.19 8.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.09 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.628 0.252 . . . . 0.0 110.648 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.987 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.11 -24.09 31.49 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.4 -3.56 56.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.424 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.47 -44.78 95.56 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.139 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.9 t -73.3 -32.45 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.118 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 77.5 t80 -57.63 0.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 79.76 29.89 45.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.01 52.29 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.362 . . . . 0.0 110.603 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.948 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.809 0.338 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -166.07 63.45 0.22 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.6 mt 50.02 9.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 0.0 110.573 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 2' ' ' GLY . 54.4 tp -63.26 -44.06 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.599 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 p -71.75 -19.11 62.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.34 -45.77 92.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -63.0 -37.05 94.33 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.8 13.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.613 0.244 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.48 -33.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.474 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.77 -6.41 58.18 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.678 -0.307 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.98 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.418 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -85.27 -15.54 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.43 -46.3 90.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.72 44.48 0.02 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.909 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.57 25.43 4.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.773 0.32 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.304 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.84 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.955 0.407 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.83 1.63 56.23 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.77 -11.59 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.857 0.361 . . . . 0.0 110.308 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.33 -40.7 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.314 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.6 t -61.48 -41.14 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.977 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -59.03 -0.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 82.34 35.18 21.2 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.63 82.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.052 0.453 . . . . 0.0 110.022 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.405 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.141 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.973 0.416 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.34 -0.66 50.26 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.12 -3.7 50.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.325 -0.438 . . . . 0.0 110.355 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -63.62 -42.08 98.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -71.88 -4.51 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -59.27 -47.37 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.99 -3.17 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.14 -179.465 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.37 72.81 6.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.248 0.524 . . . . 0.0 110.672 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.919 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -171.35 47.16 0.19 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -179.855 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 mt 62.62 -5.05 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 2' ' ' GLY . 48.7 tp -63.34 -43.68 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.39 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -62.2 -29.9 70.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.399 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.71 -41.91 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.967 -179.221 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 34.34 0.12 Allowed Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -22.96 65.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.666 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.874 0.369 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.53 -31.72 2.5 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -40.34 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.204 . . . . 0.0 111.306 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.73 -51.26 69.12 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.591 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -66.0 -45.19 82.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.199 0.523 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -62.27 -44.52 96.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.377 -179.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 4.56 69.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.286 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.6 38.68 1.26 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.736 -0.273 . . . . 0.0 111.535 -179.404 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.32 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.431 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.45 -43.72 0.3 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.69 -8.31 12.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 4' ' ' LEU . 8.2 tt -61.97 -46.66 88.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.237 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 7' ' ' GLY . 29.2 t -119.97 -33.86 3.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 49.0 t80 54.29 7.09 0.12 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.061 -179.331 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 5' ' ' SER . . . -160.35 18.47 0.22 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.533 ' N ' ' HG ' ' A' ' 5' ' ' SER . . . -64.58 -11.54 35.77 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.627 0.251 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.959 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.012 0.434 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.89 0.73 56.23 Favored Glycine 0 C--N 1.333 0.379 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.427 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 94.5 mt -94.45 0.74 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.261 179.728 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.13 -37.75 7.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -82.05 -6.73 59.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.561 -179.451 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 4.3 p90 -60.31 -47.73 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.405 -179.324 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.571 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -116.41 19.64 12.87 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 -179.089 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.47 71.01 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.455 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.79 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.893 0.378 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.07 30.09 2.86 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.693 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt 43.55 27.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.55 -40.71 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.493 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 2.25 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.09 178.816 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 81.6 t80 47.65 52.29 12.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.164 -179.796 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 77.07 19.02 77.92 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.7 6.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.291 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.677 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.551 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.14 -29.54 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.54 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.7 mt -86.0 -5.68 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.313 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -40.68 96.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.331 -179.558 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -61.97 -22.03 65.32 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.517 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.432 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.27 57.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.44 1.46 51.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.521 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.674 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.906 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.24 -28.52 0.63 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -88.0 -4.86 58.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.18 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 109.838 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -78.81 -2.08 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -58.76 -48.2 82.04 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.389 -179.296 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.629 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -105.47 6.39 41.88 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.661 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.74 -7.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 109.744 -178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . -142.69 36.94 1.58 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.3 mt 47.14 16.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 0.0 110.258 -179.454 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 79.0 mt -63.02 -41.89 99.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -63.52 -44.83 93.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.729 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.38 -40.86 85.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.113 0.482 . . . . 0.0 110.191 179.628 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.3 -34.19 88.77 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.27 58.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.314 -179.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.509 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.809 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.887 0.375 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.97 -23.35 0.17 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.17 -19.81 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.757 0.313 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 8' ' ' ALA . 11.7 tp -61.11 -40.42 93.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -55.79 -33.85 64.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.811 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -86.02 0.39 53.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.888 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.6 14.83 4.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -60.78 -24.93 66.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.767 0.318 . . . . 0.0 110.64 -179.76 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.576 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.296 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.8 -35.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.82 -8.86 53.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.717 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.26 -41.34 99.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -59.0 -47.06 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.526 -179.345 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 41.36 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.02 60.41 1.21 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.853 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.01 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.58 17.78 1.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.113 179.939 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.34 -40.41 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -49.46 -37.72 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.518 -179.322 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -61.88 -44.79 96.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -33.58 81.8 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.56 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.566 0.222 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.941 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.467 0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.63 -53.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 7' ' ' GLY . 97.5 mt -84.39 -11.49 56.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 179.762 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.14 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -86.45 -54.07 4.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.71 -46.42 85.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.401 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -88.76 21.61 25.68 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 78.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.519 0.294 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.08 -51.26 0.74 Allowed Glycine 0 N--CA 1.466 0.664 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.328 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.51 -32.41 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.271 179.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -61.23 -39.63 91.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.601 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -56.95 -44.78 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.323 -179.608 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.71 -40.79 84.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.465 179.32 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.53 15.67 61.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -59.17 -27.97 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.773 -179.8 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.913 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.624 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -151.95 38.9 0.79 Allowed Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 56.86 -3.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.987 0.422 . . . . 0.0 110.609 179.762 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.624 ' H ' ' C ' ' A' ' 2' ' ' GLY . 51.2 tp -61.67 -45.64 93.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.237 179.381 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -68.14 -35.7 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.31 -43.16 98.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.567 179.471 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 1.83 64.28 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.897 -179.309 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.33 -8.22 37.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.96 0.41 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.726 0.298 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 -40.19 95.35 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.02 -38.68 91.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.973 0.416 . . . . 0.0 110.267 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.28 -40.76 98.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.379 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -79.08 -2.1 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -58.79 -45.67 89.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.073 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.41 31.49 0.28 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.26 61.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.432 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' CA ' ' OG ' ' A' ' 12' ' ' SER . . . 152.72 38.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 96.8 t -62.34 -46.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.86 -8.07 35.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.408 ' OG ' ' CA ' ' A' ' 9' ' ' GLY . 19.7 p -86.75 -4.43 59.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.886 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.81 -52.11 0.1 Allowed Pre-proline 0 N--CA 1.47 0.542 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.802 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 42.6 Cg_exo -54.09 -50.37 13.83 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.802 1.668 . . . . 0.0 112.223 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.26 -42.6 96.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -63.46 -40.24 96.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -61.67 -41.61 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.84 -45.9 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 109.989 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -43.42 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.893 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.71 -65.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 mt -62.47 -41.88 99.09 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.3 -28.11 1.52 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.56 -15.92 22.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.484 0.183 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -44.66 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.907 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.08 -47.0 84.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.02 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.73 -45.12 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.844 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.49 17.36 58.64 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.4 70.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.791 0.329 . . . . 0.0 110.976 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 78.07 -9.37 32.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 54.3 t -64.36 -46.25 93.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.06 -11.87 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -78.33 -2.79 39.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.485 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mp -107.15 -55.38 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.549 -0.263 . . . . 0.0 111.082 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 44.8 Cg_exo -55.0 -48.08 23.1 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.014 1.809 . . . . 0.0 113.392 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.93 -43.51 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.377 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 10.8 mp -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.55 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 26.7 t-20 -61.8 -42.35 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.37 -45.91 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 109.931 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.17 -43.52 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.341 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -16.11 43.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.674 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.534 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.94 -40.35 97.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.985 0.422 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.93 -13.99 9.71 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.24 -37.9 89.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.32 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.5 mt -61.71 -38.92 89.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.944 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -57.55 -45.18 85.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.11 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 -40.14 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.29 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 34.67 5.58 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -58.97 -31.08 68.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.531 0.205 . . . . 0.0 110.99 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.81 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 12' ' ' SER . 35.5 m -62.54 -40.23 87.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.718 0.294 . . . . 0.0 110.699 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.76 23.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.423 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 10' ' ' VAL . 5.5 m -105.82 33.82 3.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -163.34 -48.7 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.147 179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 31.6 Cg_exo -58.55 -49.7 11.3 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.861 1.707 . . . . 0.0 111.883 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.32 -41.87 93.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 mt -63.52 -40.41 96.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 47.6 t-20 -62.64 -41.41 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.438 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.43 -46.54 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.049 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 HG22 HD11 ' A' ' 19' ' ' ILE . 97.6 mt -64.17 -43.61 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.806 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -5.85 59.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.52 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.97 -41.42 99.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.5 -34.48 0.54 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -89.5 -9.23 50.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.604 0.24 . . . . 0.0 110.655 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.14 -47.32 85.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -64.13 -44.1 93.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 0.0 109.991 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.72 -46.45 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.858 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -87.89 21.64 22.25 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 37.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.639 0.256 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . -159.1 -54.9 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.41 -46.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.641 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.7 -14.14 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -68.71 -10.66 57.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.678 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.5 mp -90.51 -65.88 0.15 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 28.8 Cg_endo -59.74 -42.91 42.05 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.51 2.14 . . . . 0.0 113.019 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.54 -43.89 97.69 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.485 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -65.21 -39.42 92.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.151 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.71 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.4 -45.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 19' ' ' ILE . 97.0 mt -63.94 -43.41 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.798 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.05 62.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.517 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.032 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.0 -42.28 99.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.92 -25.2 1.93 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.86 4.8 53.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 0.0 110.163 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.912 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -59.28 -46.59 88.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.674 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -64.21 -42.83 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.696 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.76 23.59 25.08 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 54.75 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.41 15.03 81.88 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.5 -45.48 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.8 -23.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.128 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -69.8 -14.69 62.89 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.71 -52.55 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.649 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -51.25 -44.81 40.75 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.791 1.66 . . . . 0.0 112.18 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.84 -41.97 97.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.911 0.386 . . . . 0.0 110.325 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -63.46 -41.66 98.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.42 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.15 -41.45 99.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.44 -45.31 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.11 -43.36 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.813 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.92 59.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.619 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.91 -39.83 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.99 -6.92 17.25 Favored Glycine 0 N--CA 1.466 0.668 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -89.85 -3.95 57.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 110.226 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.9 mm? -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -61.35 -45.66 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -66.38 -42.43 87.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.948 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.62 25.48 20.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.28 76.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.622 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 76.02 24.12 69.99 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.305 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.99 -48.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.37 -26.86 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.836 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 m -60.59 -28.07 68.21 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.668 -0.413 . . . . 0.0 109.902 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.2 -53.92 0.12 Allowed Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.39 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -49.67 -41.18 46.27 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.809 1.673 . . . . 0.0 112.946 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.95 -42.57 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.673 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 8.4 mp -63.19 -39.54 94.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.058 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 23.7 t-20 -61.36 -39.59 91.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.66 -47.29 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.265 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.14 -43.73 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.32 -20.66 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.245 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.536 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.411 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.028 0.442 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.94 -5.04 49.92 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.47 -5.39 46.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.256 -0.472 . . . . 0.0 110.289 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.35 -41.28 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -78.34 -3.66 44.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -59.49 -45.39 91.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.127 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.78 32.94 0.24 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -12.37 60.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.694 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.04 32.25 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 67.2 t -65.44 -43.1 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 10' ' ' VAL . . . 83.87 -9.85 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.614 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -102.23 20.73 16.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.076 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -162.0 -47.89 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 33.3 Cg_exo -57.84 -50.27 10.82 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.716 1.61 . . . . 0.0 112.19 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.11 -41.79 94.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.62 -39.89 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.744 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 65.4 t30 -61.74 -41.68 97.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.26 -46.65 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.56 -43.44 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.85 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.17 -17.18 55.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.511 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.04 -41.86 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -11.8 3.08 Favored Glycine 0 N--CA 1.464 0.532 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' ALA . 87.0 mt -86.62 -4.88 59.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.19 -42.98 99.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 7' ' ' GLY . 11.4 t -61.59 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -72.03 13.03 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 81.83 25.86 51.58 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . 58.44 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -159.34 12.68 0.2 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 11' ' ' ALA . 9.1 m -72.1 -44.51 65.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.312 . . . . 0.0 111.414 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 10' ' ' VAL . . . -86.53 5.81 33.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.196 0.522 . . . . 0.0 109.997 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m -95.66 29.7 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.674 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.48 -52.58 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.255 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 32.4 Cg_exo -56.67 -53.08 5.61 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.655 1.57 . . . . 0.0 112.236 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.64 -42.62 95.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.167 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 91.6 m-20 -61.27 -41.19 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.515 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.0 -46.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.997 0.427 . . . . 0.0 109.911 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.78 -43.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.882 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.07 -2.43 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.27 -41.63 98.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.857 0.361 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.78 -34.37 0.63 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.0 -40.65 98.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.413 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ALA . 56.8 mt -61.96 -40.2 94.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.214 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -60.39 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -68.43 -38.81 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.371 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.03 12.27 70.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -55.56 81.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.596 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . 88.32 -9.96 73.25 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 60.1 t 58.81 -5.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.279 -0.461 . . . . 0.0 111.286 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -90.83 -1.05 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.043 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.5 p -85.83 -7.5 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.466 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.08 -51.23 0.1 Allowed Pre-proline 0 N--CA 1.47 0.561 0 N-CA-C 110.698 -0.112 . . . . 0.0 110.698 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 39.8 Cg_exo -55.05 -49.38 16.75 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 121.893 1.729 . . . . 0.0 112.465 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.34 -42.56 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.4 mm? -63.8 -40.41 96.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.472 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.63 -46.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.432 . . . . 0.0 109.931 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.84 -43.61 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.067 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.47 -68.89 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.64 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.981 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.16 -41.85 99.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.35 -17.0 1.01 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -88.05 -1.26 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.739 0.304 . . . . 0.0 110.327 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.179 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 6.12 16.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.79 -46.8 88.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -127.77 -10.71 3.47 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.61 16.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 146.18 -28.94 1.67 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' SER . 94.1 t -64.53 -42.9 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.435 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.32 -5.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' VAL . 45.7 p -84.07 18.57 2.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.639 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.54 -53.39 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.26 -49.02 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.636 1.557 . . . . 0.0 112.304 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -43.38 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 mt -64.77 -38.47 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.924 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 99.2 m-20 -61.33 -41.08 96.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.584 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.45 -46.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 mm -64.11 -43.49 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.759 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.33 -15.68 54.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.587 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.55 -40.94 98.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.268 0.355 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.49 -34.85 90.32 Favored Glycine 0 CA--C 1.515 0.054 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.18 -34.87 79.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.92 -40.16 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -76.84 -3.71 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.636 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.68 -46.76 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.55 60.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' CA ' ' OG ' ' A' ' 12' ' ' SER . . . 178.84 27.93 0.05 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.18 -44.56 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 110.794 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.5 -1.33 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.133 0.492 . . . . 0.0 109.725 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.47 ' OG ' ' CA ' ' A' ' 9' ' ' GLY . 84.9 p -87.46 -4.05 59.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.216 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -107.51 -51.56 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.22 -62.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.037 1.825 . . . . 0.0 113.764 -178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.303 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.86 -41.36 99.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.869 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 83.9 m-20 -62.74 -41.12 99.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.638 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.2 -46.05 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 109.831 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.1 -43.39 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.03 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 4.1 24.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.631 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.53 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.16 -40.95 0.45 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' GLY . 96.9 mt -64.31 -39.71 94.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.37 -44.07 97.32 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.333 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -71.17 -47.44 57.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.36 -49.46 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.24 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -69.74 -39.87 76.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.24 11.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.036 0.446 . . . . 0.0 110.632 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 98.45 -19.56 53.94 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' GLY . 7.1 t -63.56 -44.19 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.677 0.275 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.91 38.66 2.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 67.48 21.68 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.474 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tp 44.78 70.31 2.03 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 92.9 Cg_endo -94.79 -71.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 123.512 2.808 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 81.6 mt -63.87 -40.9 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.622 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 0.0 110.133 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 51.9 t-20 -61.91 -40.53 95.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.68 -47.71 91.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.401 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 19' ' ' ILE . 47.7 mm -67.39 -43.44 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.048 0.451 . . . . 0.0 109.852 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -66.6 0.67 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.998 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 120.237 -1.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 154.53 55.83 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.5 mt 42.33 19.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.864 0.364 . . . . 0.0 110.591 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLY . 56.0 tp -62.83 -43.22 99.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m -60.79 -45.08 95.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -68.12 -41.39 81.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 26.18 19.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.44 75.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.44 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.7 -16.3 0.02 OUTLIER Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.42 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 t -60.38 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.782 0.291 . . . . 0.0 110.983 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.76 -11.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 t -67.18 -17.57 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.79 -52.05 0.11 Allowed Pre-proline 0 N--CA 1.477 0.897 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.52 -43.91 53.53 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.041 1.827 . . . . 0.0 112.536 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.068 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.03 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 51.2 t-20 -61.86 -40.15 94.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.935 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.22 -47.1 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.593 -0.443 . . . . 0.0 109.884 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 mm -66.15 -43.2 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.023 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.84 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.516 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.05 -41.83 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 173.51 50.48 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.2 mt 46.98 13.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.218 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 2' ' ' GLY . 82.6 mt -63.03 -46.06 89.39 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.273 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.334 0.588 . . . . 0.0 109.882 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.08 -47.28 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.485 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -65.53 -31.85 81.46 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.43 80.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 110.576 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 139.19 -25.09 2.79 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' A' ' 12' ' ' SER . 54.2 t -63.05 -45.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.95 -21.82 0.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.564 ' H ' ' C ' ' A' ' 10' ' ' VAL . 41.8 m -86.38 11.51 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 0.0 110.74 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.514 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 1.2 tp -153.27 -44.56 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 39.8 Cg_exo -57.22 -55.41 2.58 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.45 1.434 . . . . 0.0 112.653 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.03 -43.3 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.636 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.72 -41.08 96.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.712 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -61.49 -41.94 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.38 -45.46 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.863 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.67 -43.76 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.977 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -6.38 59.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.514 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.034 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp -89.18 -5.5 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -7.44 73.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.36 -11.89 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -62.91 -16.98 61.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.404 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.02 10.42 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.548 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 79.35 34.02 33.71 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.55 -4.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.232 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 174.27 74.99 0.05 OUTLIER Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -43.95 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 110.186 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.76 -12.39 61.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -64.77 -10.59 28.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.9 mp -92.05 -65.92 0.13 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 25.9 Cg_endo -59.27 -36.09 95.66 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.47 2.113 . . . . 0.0 113.424 -178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.24 -43.87 97.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.177 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 8.6 mp -66.42 -39.05 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.335 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 93.2 m-20 -61.26 -41.76 97.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.92 -46.77 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 109.999 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.68 -43.65 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.861 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.33 51.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.453 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.51 -39.21 92.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.76 28.75 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -100.0 -3.1 32.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.03 -41.51 99.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 110.017 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -80.31 -1.44 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.84 -46.7 87.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.424 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.74 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.14 21.04 3.36 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.665 0.269 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.5 -14.92 0.55 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.49 -45.43 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.07 10.61 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -115.39 43.59 2.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.758 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -150.31 -63.91 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.24 -51.48 3.5 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.201 1.934 . . . . 0.0 112.492 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.5 -43.2 99.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.679 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -39.16 93.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.879 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 89.4 m-20 -60.37 -39.81 88.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.525 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.3 -47.16 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.013 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mm -67.5 -42.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.142 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.84 -4.66 55.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.792 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.61 -8.32 54.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.28 -26.29 0.2 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.95 -13.38 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.701 -0.293 . . . . 0.0 111.326 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.88 -46.62 88.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.132 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -63.81 -43.69 95.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 109.795 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.34 -41.38 98.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.543 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -60.26 -34.53 84.95 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.97 3.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 85.79 22.58 49.3 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.547 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 74.7 t -63.49 -21.97 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' VAL . . . 83.26 -15.32 0.65 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.293 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -85.74 -10.95 54.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.252 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -118.07 -50.16 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.836 -179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 47.0 Cg_exo -55.0 -45.91 37.3 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.94 1.76 . . . . 0.0 112.649 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.54 -42.39 98.41 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.673 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 10.8 mp -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.153 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -62.05 -42.27 99.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.52 -46.97 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.357 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mm -65.11 -43.43 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.915 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.27 -33.8 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.87 -41.64 99.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.731 0.301 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -146.27 46.17 0.76 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt 43.97 18.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.665 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 2' ' ' GLY . 82.2 mt -62.85 -44.02 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -62.75 -46.02 89.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -69.82 -41.32 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -65.16 -37.44 94.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.77 19.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . 136.72 76.33 0.07 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.76 -45.45 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.719 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.42 -19.39 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.217 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t -66.61 -7.85 23.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.298 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 3.8 mm? -90.54 -65.18 0.17 Allowed Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.392 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 27.9 Cg_endo -59.3 -39.67 75.53 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.368 2.045 . . . . 0.0 113.117 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.1 -43.32 98.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.955 0.407 . . . . 0.0 110.326 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.0 mm? -64.85 -38.48 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.299 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.66 -40.6 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.48 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.85 -43.53 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.524 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -23.56 60.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.7 -41.14 98.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.92 -37.52 0.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.8 mt -99.56 -17.83 17.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.73 -41.8 97.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -60.08 -46.03 90.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.13 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.09 -41.12 86.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.008 0.432 . . . . 0.0 110.493 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 30.13 9.59 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.45 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.555 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.63 -34.2 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.78 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 49.95 37.71 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t 66.93 15.14 10.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.765 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 tt 54.02 68.8 2.52 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 86.1 Cg_endo -95.36 -65.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 123.503 2.802 . . . . 0.0 112.713 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 88.5 mt -63.05 -41.33 99.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.83 -39.46 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.1 t-20 -59.68 -40.84 89.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.714 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.73 -47.5 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 19' ' ' ILE . 43.1 mm -66.89 -43.47 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.027 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.46 34.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.631 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.95 -42.66 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.215 0.322 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.01 -11.92 1.18 Allowed Glycine 0 N--CA 1.466 0.681 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.84 -22.99 63.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.72 0.295 . . . . 0.0 111.135 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.47 -41.24 98.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.244 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -78.61 -2.54 39.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.919 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -59.46 -46.4 88.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.319 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.79 53.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.42 -28.6 1.07 Allowed Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t 49.6 21.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.431 . . . . 0.0 110.01 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.97 1.69 17.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.513 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.0 m -77.3 -8.09 57.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.234 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 -52.25 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 121.436 -0.105 . . . . 0.0 111.139 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.89 -44.68 40.25 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.056 1.838 . . . . 0.0 112.649 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.12 -43.2 99.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 10.1 mp -64.15 -39.6 94.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.906 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 12.6 m120 -61.75 -41.38 97.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.36 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.21 -46.67 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.164 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.77 -43.66 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 109.821 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.75 -28.26 58.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.227 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 171.87 70.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.6 mt 53.42 8.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 110.05 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 2' ' ' GLY . 57.9 tp -62.76 -39.05 92.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.647 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -54.55 -45.24 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.62 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -65.02 -42.1 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.011 0.434 . . . . 0.0 110.002 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.77 2.94 38.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.68 -7.45 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.458 0.17 . . . . 0.0 111.152 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.79 -35.57 0.09 OUTLIER Glycine 0 N--CA 1.463 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' SER . 85.3 t -61.61 -49.14 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.797 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 33.3 26.44 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.427 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 10' ' ' VAL . 8.6 t -124.01 37.85 4.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.317 -179.371 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -177.63 -50.0 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.336 179.887 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 42.2 Cg_exo -55.34 -49.36 16.47 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.992 1.795 . . . . 0.0 112.25 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.63 -43.16 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 mm? -64.34 -39.65 94.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.05 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.46 -41.46 98.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 -179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -64.49 -46.01 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.81 -43.37 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.205 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.2 -4.47 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.1 -41.95 99.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 171.38 65.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt 43.93 18.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.435 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -62.67 -43.96 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.657 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -80.05 -2.55 44.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -59.78 -47.08 87.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.435 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.99 42.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.72 92.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.72 48.56 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.76 -45.38 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.56 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.377 -179.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.8 p -64.24 -14.1 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.096 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 4.0 mm? -87.62 -64.23 0.21 Allowed Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.053 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 24.8 Cg_endo -58.94 -39.94 76.22 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.332 2.022 . . . . 0.0 113.47 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.9 mt -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.599 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.18 -38.9 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.336 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 92.6 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -46.33 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD12 HG23 ' A' ' 19' ' ' ILE . 97.2 mt -64.03 -43.75 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.68 -8.67 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.87 -41.76 99.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.682 0.277 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.41 79.33 0.05 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt 43.76 28.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.482 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.37 -39.71 95.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -59.08 -44.61 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -63.36 -42.64 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.75 20.67 37.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -8.87 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.38 58.97 0.43 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' C ' ' H ' ' A' ' 12' ' ' SER . 75.4 t -63.32 -25.27 38.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.47 2.95 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.0 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 10' ' ' VAL . 70.1 m -90.5 26.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.124 -179.236 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -145.08 -48.87 0.02 OUTLIER Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.727 179.86 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.501 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 33.1 Cg_exo -59.43 -52.2 5.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.929 1.753 . . . . 0.0 112.669 -178.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.55 -42.38 95.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.732 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.04 -39.16 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.61 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.631 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.94 -47.7 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.224 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -64.7 -43.45 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.949 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.07 -59.5 2.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.88 -0.14 57.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . -168.02 -31.18 0.02 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.647 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.12 -37.43 82.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.13 -40.58 94.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 2' ' ' GLY . 78.2 p -58.98 -45.53 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.094 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -66.87 -40.19 87.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.39 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 23.06 14.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.55 -39.12 72.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.509 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.39 52.51 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 84.0 t -82.33 -74.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.849 0.357 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.37 -11.41 22.5 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.366 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.2 t -79.44 -4.77 52.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.51 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -52.32 0.05 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.403 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 43.7 Cg_exo -53.64 -46.29 34.79 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.698 1.599 . . . . 0.0 112.473 -178.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.14 -44.96 90.56 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.61 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.28 -37.74 88.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 19.0 m120 -60.33 -40.59 91.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.744 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.32 -47.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HG22 HD12 ' A' ' 19' ' ' ILE . 44.9 mm -65.2 -43.91 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.193 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.92 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.4 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.189 -1.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.15 -3.42 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.305 0.378 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 163.66 34.41 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt 56.15 1.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.539 0.209 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 2' ' ' GLY . 83.3 mt -63.31 -43.71 97.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.976 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -78.05 -24.61 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.49 -46.85 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -64.39 1.22 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.83 25.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.51 82.33 0.82 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.16 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 110.636 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -8.37 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 m -65.87 -8.57 22.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.0 mp -93.36 -66.08 0.11 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.819 -179.788 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 32.7 Cg_endo -61.13 -33.51 90.94 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.364 2.043 . . . . 0.0 113.505 -178.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.88 -42.09 99.64 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.614 -178.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 8.8 mp -65.84 -39.87 91.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.665 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 45.6 t-20 -62.46 -41.22 98.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.076 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.79 -44.88 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 19' ' ' ILE . 96.6 mt -64.11 -43.84 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.385 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -23.85 53.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.381 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.501 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.96 -34.48 61.96 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.89 -35.87 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 -179.144 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -42.22 98.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -79.57 1.96 24.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.064 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -59.36 -46.77 87.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.37 -179.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.3 59.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.75 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.51 70.9 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 73.3 t -93.37 -77.6 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.06 -4.79 42.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.503 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.1 p -88.03 -6.42 57.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.7 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -109.8 -46.51 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.667 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.749 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 92.0 Cg_endo -91.24 -57.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.451 2.101 . . . . 0.0 112.898 -178.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.64 -42.24 99.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.011 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.04 -39.81 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -61.25 -40.48 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 -179.781 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.84 -47.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.368 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 mm -66.9 -43.21 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.19 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.79 -65.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.88 -43.14 99.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.99 57.9 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.38 -37.07 85.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' ALA . 57.2 tp -60.06 -38.36 82.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -58.67 -44.84 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.844 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -64.43 -42.1 96.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.429 . . . . 0.0 110.097 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.63 39.08 3.01 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -57.99 -36.81 73.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.756 -179.385 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.575 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -134.94 -148.72 5.74 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t 59.85 -4.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.564 0.221 . . . . 0.0 110.996 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 48.55 32.87 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.038 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 11' ' ' ALA . 3.4 p 70.57 16.08 7.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.794 179.726 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp 55.33 66.15 4.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.27 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 72.5 Cg_endo -93.97 -73.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 123.001 2.467 . . . . 0.0 111.971 179.685 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 83.6 mt -63.88 -38.62 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.315 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.81 -41.11 95.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.172 -179.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.45 -42.64 99.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.12 -45.11 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.465 . . . . 0.0 110.068 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.01 -43.35 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.881 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -36.97 74.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.452 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 64.7 mt 38.07 28.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.75 0.309 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . 171.64 -50.97 0.18 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.36 -34.88 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.7 -40.33 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 2' ' ' GLY . 93.8 p -58.6 -22.37 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.726 -179.072 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.21 12.56 3.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.441 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 27.35 57.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -9.34 43.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.281 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -100.33 -57.32 0.9 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.04 -44.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.914 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.82 7.45 5.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.276 -179.153 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 9' ' ' GLY . 60.8 p -113.98 43.05 1.91 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.223 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -144.57 -47.92 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.499 179.488 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 14.4 Cg_exo -70.17 -60.39 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.488 2.125 . . . . 0.0 112.516 -179.388 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.697 -178.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -41.1 99.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.431 -179.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.68 -42.16 98.54 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.05 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.2 -46.04 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.017 179.347 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 19' ' ' ILE . 96.9 mt -64.19 -43.31 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.863 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.88 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.007 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.63 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.759 0.314 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.04 -42.43 94.63 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.58 -40.19 95.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.476 -0.362 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -50.07 73.7 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -64.85 -45.27 86.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.185 0.517 . . . . 0.0 110.369 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -62.28 -45.44 93.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 30.89 9.34 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.25 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.561 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -153.98 -92.81 0.09 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 12' ' ' SER . 2.1 t 62.11 -6.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.619 0.247 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.561 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 42.24 18.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' VAL . 48.7 m -122.86 16.9 10.17 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.527 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -148.75 -48.09 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.527 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 23.2 Cg_exo -64.83 -57.8 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.037 1.825 . . . . 0.0 112.201 -179.329 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.87 -41.44 97.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.27 -40.98 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.582 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 51.8 t30 -62.55 -43.31 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -179.601 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.7 -47.71 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.273 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.4 mm -65.23 -43.36 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.048 179.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.77 -16.1 58.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.599 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.123 -1.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt 46.66 53.57 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.62 -71.87 0.3 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.41 -39.57 94.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.269 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.51 -48.09 82.61 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -66.41 -45.22 80.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 110.29 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -63.43 -44.84 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.867 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 4.29 65.67 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.25 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.361 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -51.29 0.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.55 -44.9 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.471 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 28.0 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.31 23.53 5.03 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.354 179.047 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt 50.57 67.97 3.85 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.132 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -93.99 -80.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 123.078 2.519 . . . . 0.0 112.373 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.6 mt -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.779 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.28 -41.93 97.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 -179.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -61.63 -41.09 97.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.9 t -63.73 -45.98 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.926 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 19' ' ' ILE . 97.4 mt -63.88 -43.51 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.815 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.65 -59.76 3.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.421 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.7 mt 39.4 28.79 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . -163.68 -34.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.77 -9.85 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.331 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -63.3 -42.01 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -60.68 -45.92 92.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -65.0 -43.07 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 110.091 179.415 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.12 31.19 8.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.09 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.628 0.252 . . . . 0.0 110.648 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.51 31.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.57 -78.28 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.0 -8.38 22.42 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.049 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -85.86 9.57 16.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.358 -179.218 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.75 -53.27 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.25 -179.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -56.14 -48.81 17.65 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 121.518 1.478 . . . . 0.0 112.585 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.07 -43.67 94.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.401 . . . . 0.0 110.488 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.73 -37.09 83.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.233 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 99.1 m-20 -61.17 -41.75 97.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -44.72 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.73 -43.49 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.668 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -4.2 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.84 -3.95 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.11 -24.09 31.49 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.4 -3.56 56.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.424 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.47 -44.78 95.56 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.139 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.9 t -73.3 -32.45 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.118 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 77.5 t80 -57.63 0.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 79.76 29.89 45.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.01 52.29 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.362 . . . . 0.0 110.603 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.34 40.13 0.02 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.63 -50.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.9 -9.04 26.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.221 179.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -82.35 -7.24 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.927 -179.38 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.9 mp -94.51 -66.32 0.1 Allowed Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.305 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 25.2 Cg_endo -58.49 -42.5 54.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.347 2.031 . . . . 0.0 113.086 -178.722 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -42.47 99.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.21 -179.561 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 mm? -64.17 -39.54 94.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.82 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -61.49 -40.81 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.539 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.97 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 19' ' ' ILE . 96.0 mt -63.56 -43.49 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.361 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -23.62 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.099 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -166.07 63.45 0.22 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.6 mt 50.02 9.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 0.0 110.573 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 2' ' ' GLY . 54.4 tp -63.26 -44.06 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.599 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 p -71.75 -19.11 62.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.34 -45.77 92.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -63.0 -37.05 94.33 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.8 13.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 153.73 -30.33 0.75 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.862 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.78 -44.83 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.621 0.248 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.96 39.0 28.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t 65.76 11.08 7.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.42 69.6 1.13 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.005 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 77.3 Cg_endo -93.9 -72.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 123.288 2.659 . . . . 0.0 112.072 179.864 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 67.4 mt -63.19 -40.4 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.597 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.69 -40.88 96.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.193 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.4 -41.24 96.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.36 -46.16 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 109.935 179.656 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.1 -43.58 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.711 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.62 87.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.47 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.97 -0.14 57.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.613 0.244 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.48 -33.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.474 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.77 -6.41 58.18 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.678 -0.307 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.98 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.418 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -85.27 -15.54 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.43 -46.3 90.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.72 44.48 0.02 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.909 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.57 25.43 4.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.773 0.32 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.29 -39.36 0.28 Allowed Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.84 -43.14 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 75.38 -63.62 0.4 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.297 179.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t 179.33 39.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.375 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 6.7 tp 45.59 54.01 13.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.032 -178.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 64.0 Cg_endo -94.24 -55.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 122.512 2.142 . . . . 0.0 111.488 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 46.6 mt -63.89 -40.39 96.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.221 179.836 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.9 mm? -62.15 -40.56 96.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.885 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 85.5 m-20 -62.05 -40.47 95.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.41 179.68 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.3 -46.09 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD12 HG23 ' A' ' 19' ' ' ILE . 97.2 mt -64.17 -43.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.688 179.359 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.4 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.067 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.25 -39.02 93.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.955 0.407 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.83 1.63 56.23 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.77 -11.59 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.857 0.361 . . . . 0.0 110.308 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.33 -40.7 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.314 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.6 t -61.48 -41.14 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.977 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -59.03 -0.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 82.34 35.18 21.2 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.63 82.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.052 0.453 . . . . 0.0 110.022 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -126.17 -23.52 1.58 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.524 ' C ' ' H ' ' A' ' 12' ' ' SER . 3.1 t 63.42 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 110.697 179.735 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 45.43 15.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.957 0.408 . . . . 0.0 110.055 -179.507 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 10' ' ' VAL . 4.5 t -126.43 39.55 3.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.172 -179.705 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -172.2 -46.0 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 179.89 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -64.09 -57.49 0.34 Allowed 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.172 1.915 . . . . 0.0 112.114 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.2 -42.73 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.87 -40.94 99.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.691 -179.658 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -60.99 -39.54 90.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -179.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.47 -47.16 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.135 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.46 -43.52 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.084 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.2 -14.17 60.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.33 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.973 0.416 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.34 -0.66 50.26 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.12 -3.7 50.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.325 -0.438 . . . . 0.0 110.355 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -63.62 -42.08 98.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -71.88 -4.51 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -59.27 -47.37 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.99 -3.17 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.14 -179.465 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.37 72.81 6.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.248 0.524 . . . . 0.0 110.672 -179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.19 -24.59 2.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.34 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.771 0.32 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 44.42 37.29 1.97 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -145.6 29.31 1.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.098 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -169.89 -44.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.936 -179.888 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 11.3 Cg_exo -71.58 -69.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.078 1.852 . . . . 0.0 111.728 -179.469 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -38.66 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.4 -42.31 95.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.306 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.2 -39.9 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.95 -46.27 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.21 -43.29 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.534 179.354 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.43 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.064 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.53 -41.2 98.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.308 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -171.35 47.16 0.19 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -179.855 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 mt 62.62 -5.05 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 2' ' ' GLY . 48.7 tp -63.34 -43.68 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.39 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -62.2 -29.9 70.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.399 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.71 -41.91 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.967 -179.221 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 34.34 0.12 Allowed Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -22.96 65.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -148.11 17.2 1.36 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.666 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t 53.09 11.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -80.49 11.09 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.18 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -81.31 -8.77 59.8 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.349 -178.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -111.32 -50.34 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.765 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.085 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 38.2 Cg_exo -54.15 -44.37 49.92 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 122.106 1.871 . . . . 0.0 112.443 -179.198 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.16 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.454 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 10.4 mp -63.3 -39.92 95.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.068 179.654 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.88 -41.47 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.255 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.1 -45.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.87 -43.28 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.11 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.86 -57.39 3.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.527 -179.581 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.9 -42.04 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.53 -31.72 2.5 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -40.34 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.204 . . . . 0.0 111.306 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.73 -51.26 69.12 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.591 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -66.0 -45.19 82.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.199 0.523 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -62.27 -44.52 96.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.377 -179.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 4.56 69.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.286 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.6 38.68 1.26 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.736 -0.273 . . . . 0.0 111.535 -179.404 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.78 -39.36 0.02 OUTLIER Glycine 0 C--N 1.332 0.32 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.431 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -97.43 -43.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.855 179.191 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.71 -77.26 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.252 0.548 . . . . 0.0 110.404 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 10' ' ' VAL . 21.4 t -174.24 32.73 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.263 179.779 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 3.2 mm? 54.02 49.94 6.39 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.185 -178.78 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 95.3 Cg_endo -87.59 -55.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 122.045 1.83 . . . . 0.0 111.5 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.35 -41.03 96.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -62.13 -39.42 92.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.321 -179.725 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -60.84 -40.78 94.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.3 -47.74 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.162 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 19' ' ' ILE . 43.4 mm -66.18 -43.48 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.969 179.117 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.29 -19.64 64.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.657 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.096 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.05 -40.96 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.45 -43.72 0.3 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.69 -8.31 12.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 4' ' ' LEU . 8.2 tt -61.97 -46.66 88.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.237 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 7' ' ' GLY . 29.2 t -119.97 -33.86 3.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 49.0 t80 54.29 7.09 0.12 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.061 -179.331 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 5' ' ' SER . . . -160.35 18.47 0.22 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.533 ' N ' ' HG ' ' A' ' 5' ' ' SER . . . -64.58 -11.54 35.77 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.627 0.251 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.99 -25.63 0.08 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.7 -45.33 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.627 0.251 . . . . 0.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.6 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 -179.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -81.21 -5.81 58.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.682 -179.344 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.79 -52.25 0.11 Allowed Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.292 -179.365 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.62 -49.88 15.97 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.877 1.718 . . . . 0.0 112.328 -179.699 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.27 -42.97 92.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 0.0 110.667 -179.829 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -64.03 -40.5 96.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.83 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.27 -46.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 109.935 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.45 -43.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.084 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.46 -62.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.21 -39.16 93.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.012 0.434 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.89 0.73 56.23 Favored Glycine 0 C--N 1.333 0.379 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.427 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 94.5 mt -94.45 0.74 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.261 179.728 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.13 -37.75 7.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 -179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -82.05 -6.73 59.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.561 -179.451 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 4.3 p90 -60.31 -47.73 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.405 -179.324 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.571 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -116.41 19.64 12.87 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 -179.089 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.47 71.01 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.58 -3.05 75.94 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.89 -46.89 87.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.018 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.48 -31.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.246 -179.03 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -63.73 -12.38 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.17 -52.36 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.002 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.35 -63.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 121.908 1.739 . . . . 0.0 112.346 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.03 -40.64 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.534 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.93 -42.65 99.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.223 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.71 -41.06 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.366 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.75 -45.47 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.009 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.98 -43.28 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.887 179.469 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.86 -42.05 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.645 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.68 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.07 30.09 2.86 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.693 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt 43.55 27.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.55 -40.71 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.493 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 2.25 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.09 178.816 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 81.6 t80 47.65 52.29 12.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.164 -179.796 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 77.07 19.02 77.92 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.7 6.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.291 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 80.23 27.14 53.38 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.551 179.538 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.89 -45.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.442 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.87 58.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.657 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -74.76 -1.2 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.692 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.4 mp -95.98 -66.73 0.08 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.384 -179.291 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 32.8 Cg_endo -60.17 -39.9 64.86 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.395 2.064 . . . . 0.0 113.503 -178.841 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.21 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.788 -178.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.11 -39.18 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.67 179.529 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 27.7 t-20 -61.4 -41.33 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.31 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.64 -45.84 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.918 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.76 -43.47 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.446 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.48 -59.36 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.701 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.302 -1.476 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt 38.44 32.53 0.05 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.675 0.274 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.14 -29.54 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.54 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.7 mt -86.0 -5.68 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.313 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -40.68 96.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.331 -179.558 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -61.97 -22.03 65.32 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.517 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.432 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.27 57.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.44 1.46 51.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.521 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.06 -10.92 5.49 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 96.4 t -64.02 -42.76 96.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.457 -0.372 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 10' ' ' VAL . . . 92.32 -14.87 0.17 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.749 0.656 . . . . 0.0 110.143 -179.497 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 -8.78 55.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.652 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.04 -49.05 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.035 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -81.81 -62.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.773 1.649 . . . . 0.0 113.142 -178.574 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.33 -40.77 98.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.885 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.353 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.5 t-20 -61.23 -39.65 91.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mm -65.64 -43.5 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.94 179.051 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.24 59.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.554 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.24 -28.52 0.63 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -88.0 -4.86 58.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.18 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 109.838 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -78.81 -2.08 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -58.76 -48.2 82.04 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.389 -179.296 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.629 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -105.47 6.39 41.88 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.661 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.74 -7.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 109.744 -178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 170.47 -48.46 0.2 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.593 ' C ' ' H ' ' A' ' 12' ' ' SER . 44.5 t -150.77 -76.49 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 CA-C-N 114.905 -0.647 . . . . 0.0 110.881 179.253 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.8 -9.68 0.1 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.282 -179.453 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.593 ' H ' ' C ' ' A' ' 10' ' ' VAL . 96.8 p -90.07 3.09 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.513 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -149.17 -51.62 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.625 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 50.2 Cg_exo -53.87 -45.13 43.26 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 121.674 1.583 . . . . 0.0 112.49 -179.026 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.58 -42.3 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.99 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 64.8 t30 -61.0 -40.89 95.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.07 -43.55 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.463 179.408 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.33 -22.21 55.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.101 -1.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.1 mt 44.58 26.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . -142.69 36.94 1.58 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.3 mt 47.14 16.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 0.0 110.258 -179.454 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 79.0 mt -63.02 -41.89 99.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -63.52 -44.83 93.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.729 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.38 -40.86 85.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.113 0.482 . . . . 0.0 110.191 179.628 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -65.3 -34.19 88.77 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.27 58.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.314 -179.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.51 -59.37 0.92 Allowed Glycine 0 N--CA 1.464 0.509 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.809 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.24 -43.89 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.23 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 55.65 36.51 27.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 109.967 -179.228 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 65.48 17.63 11.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tp 53.1 69.44 2.32 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 73.6 Cg_endo -94.86 -73.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 123.264 2.643 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 93.5 mt -64.29 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.481 -179.43 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.68 -39.07 90.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.082 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.3 t-20 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.882 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.34 -46.13 94.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.059 179.037 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.656 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.86 -12.22 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.467 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.28 -1.72 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.97 -23.35 0.17 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.17 -19.81 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.757 0.313 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 8' ' ' ALA . 11.7 tp -61.11 -40.42 93.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -55.79 -33.85 64.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.811 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -86.02 0.39 53.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.888 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.6 14.83 4.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -60.78 -24.93 66.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.767 0.318 . . . . 0.0 110.64 -179.76 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -65.73 0.78 Allowed Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.296 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 12' ' ' SER . 49.7 t -62.24 -45.43 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.83 16.36 0.32 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.348 0.594 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 77.39 30.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.652 -179.85 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mp 43.52 65.43 5.64 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-O 121.497 0.665 . . . . 0.0 110.341 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -90.8 -51.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.996 2.464 . . . . 0.0 111.783 179.659 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.02 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.329 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 4.2 mm? -61.54 -39.95 92.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.834 -179.501 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.16 -40.32 89.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 -179.426 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -46.77 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 179.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -64.67 -43.37 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.901 179.655 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -64.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.409 179.757 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.138 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.8 mt 38.44 31.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.8 -35.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.82 -8.86 53.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.717 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.26 -41.34 99.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -59.0 -47.06 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.526 -179.345 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 41.36 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.02 60.41 1.21 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.18 -49.71 0.26 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.853 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.44 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.28 38.45 10.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.482 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 64.88 16.83 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.292 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp 55.3 69.33 2.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 73.1 Cg_endo -94.32 -73.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.368 2.712 . . . . 0.0 112.279 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 90.9 mt -63.44 -39.63 95.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.754 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.83 -40.56 95.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.887 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -60.76 -41.51 95.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.664 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.52 -46.01 96.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 109.945 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.1 -43.56 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.68 179.232 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.47 -37.54 83.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.484 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.72 -41.99 99.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.01 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.58 17.78 1.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.113 179.939 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.34 -40.41 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -49.46 -37.72 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.518 -179.322 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -61.88 -44.79 96.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -33.58 81.8 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.56 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.566 0.222 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.27 92.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.1 t -71.74 -24.42 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.844 0.354 . . . . 0.0 110.176 179.462 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.58 34.34 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t 64.03 19.53 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp 50.93 70.32 2.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' CG ' ' H ' ' A' ' 15' ' ' LEU . 78.7 Cg_endo -93.64 -73.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 123.259 2.639 . . . . 0.0 112.711 -179.486 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 97.4 mt -63.09 -40.33 97.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.695 -179.486 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 10.0 mp -61.57 -41.9 98.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.012 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 58.5 t-20 -63.2 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.65 -46.85 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.216 -179.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 19' ' ' ILE . 97.3 mt -64.87 -43.47 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.967 179.759 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -3.65 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.464 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.512 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.495 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.233 0.22 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 0' ' ' ACE . 80.6 mt 35.33 30.12 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . -155.63 -53.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 7' ' ' GLY . 97.5 mt -84.39 -11.49 56.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 179.762 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.14 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -86.45 -54.07 4.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.71 -46.42 85.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.401 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -88.76 21.61 25.68 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 78.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 137.05 43.5 0.09 OUTLIER Glycine 0 CA--C 1.519 0.294 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.786 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 12' ' ' SER . 16.5 m -59.11 -26.16 32.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.927 -0.637 . . . . 0.0 111.225 -178.573 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 22.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 10' ' ' VAL . 88.4 p -86.41 -6.08 59.01 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.926 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.527 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -137.88 -47.62 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.642 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.527 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 21.9 Cg_exo -63.76 -68.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.913 1.742 . . . . 0.0 112.175 -178.623 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.98 -38.29 90.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.11 -41.58 83.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 27.1 t-20 -62.34 -38.57 90.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.735 179.484 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.37 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.404 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.72 -43.38 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.041 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.72 -22.55 58.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.114 -1.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.544 ' C ' ' H ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt 50.42 8.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 0' ' ' ACE . . . -108.08 -51.26 0.74 Allowed Glycine 0 N--CA 1.466 0.664 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.328 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.51 -32.41 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.271 179.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -61.23 -39.63 91.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.601 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -56.95 -44.78 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.323 -179.608 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.71 -40.79 84.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.465 179.32 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.53 15.67 61.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -59.17 -27.97 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.773 -179.8 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -158.1 -128.51 1.02 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.913 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 t 64.49 -9.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.982 -179.605 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -164.73 -40.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.077 179.53 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -82.82 6.46 18.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -136.13 -50.14 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.235 -179.638 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.474 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -68.51 -65.89 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 121.915 1.743 . . . . 0.0 111.94 -179.45 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.81 -39.43 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.67 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.25 -41.59 97.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.656 -179.266 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.83 -40.94 97.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -63.1 -46.08 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.047 179.706 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 19' ' ' ILE . 97.1 mt -64.18 -43.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.775 179.503 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -33.46 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.2 -42.33 99.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.624 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -151.95 38.9 0.79 Allowed Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 56.86 -3.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.987 0.422 . . . . 0.0 110.609 179.762 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.624 ' H ' ' C ' ' A' ' 2' ' ' GLY . 51.2 tp -61.67 -45.64 93.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.237 179.381 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -68.14 -35.7 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.31 -43.16 98.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.567 179.471 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 1.83 64.28 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.897 -179.309 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.33 -8.22 37.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.96 0.41 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.75 59.7 0.39 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -179.738 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' A' ' 12' ' ' SER . 75.0 t -61.89 -44.52 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -179.825 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.79 -7.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.918 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 10' ' ' VAL . 8.1 t -74.99 -8.08 55.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.221 -179.241 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mp -111.9 -51.36 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.556 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.57 -46.8 31.09 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.893 1.729 . . . . 0.0 112.222 -179.431 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.57 -42.44 95.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 179.742 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 4.1 mm? -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.832 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.71 -40.23 87.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.92 -46.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 mm -63.56 -44.02 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.892 179.204 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.66 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.336 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.019 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.726 0.298 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 -40.19 95.35 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.02 -38.68 91.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.973 0.416 . . . . 0.0 110.267 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.28 -40.76 98.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.379 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -79.08 -2.1 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -58.79 -45.67 89.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.073 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.41 31.49 0.28 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.26 61.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.432 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.232 0.157 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.3 -28.11 1.52 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.56 -15.92 22.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.484 0.183 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -44.66 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.907 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.08 -47.0 84.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.02 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.73 -45.12 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.844 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.49 17.36 58.64 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.4 70.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.791 0.329 . . . . 0.0 110.976 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.502 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.985 0.422 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.93 -13.99 9.71 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.24 -37.9 89.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.32 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.5 mt -61.71 -38.92 89.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.944 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -57.55 -45.18 85.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.11 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 -40.14 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.29 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 34.67 5.58 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -58.97 -31.08 68.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.531 0.205 . . . . 0.0 110.99 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.51 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.878 0.37 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.5 -34.48 0.54 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -89.5 -9.23 50.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.604 0.24 . . . . 0.0 110.655 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.14 -47.32 85.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -64.13 -44.1 93.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 0.0 109.991 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.72 -46.45 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.858 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -87.89 21.64 22.25 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 37.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.639 0.256 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.986 0.422 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.92 -25.2 1.93 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.86 4.8 53.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 0.0 110.163 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.912 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -59.28 -46.59 88.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.674 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -64.21 -42.83 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.696 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.76 23.59 25.08 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 54.75 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.626 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.99 -6.92 17.25 Favored Glycine 0 N--CA 1.466 0.668 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -89.85 -3.95 57.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 110.226 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.9 mm? -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -61.35 -45.66 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -66.38 -42.43 87.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.948 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.62 25.48 20.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.28 76.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.622 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.617 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.305 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.94 -5.04 49.92 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.47 -5.39 46.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.256 -0.472 . . . . 0.0 110.289 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.35 -41.28 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -78.34 -3.66 44.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -59.49 -45.39 91.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.127 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.78 32.94 0.24 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -12.37 60.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.694 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -11.8 3.08 Favored Glycine 0 N--CA 1.464 0.532 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' ALA . 87.0 mt -86.62 -4.88 59.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.19 -42.98 99.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 7' ' ' GLY . 11.4 t -61.59 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -72.03 13.03 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 81.83 25.86 51.58 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . 58.44 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.72 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.613 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.78 -34.37 0.63 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.0 -40.65 98.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.413 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ALA . 56.8 mt -61.96 -40.2 94.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.214 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -60.39 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -68.43 -38.81 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.371 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.03 12.27 70.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -55.56 81.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.486 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.338 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.35 -17.0 1.01 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -88.05 -1.26 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.739 0.304 . . . . 0.0 110.327 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.179 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 6.12 16.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.79 -46.8 88.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -127.77 -10.71 3.47 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.61 16.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.786 0.326 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.49 -34.85 90.32 Favored Glycine 0 CA--C 1.515 0.054 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.1 mt -65.18 -34.87 79.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.92 -40.16 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -76.84 -3.71 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.636 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.68 -46.76 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.55 60.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.732 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.16 -40.95 0.45 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.31 -39.71 94.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.37 -44.07 97.32 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.333 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -71.17 -47.44 57.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.36 -49.46 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.24 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -69.74 -39.87 76.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.24 11.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.036 0.446 . . . . 0.0 110.632 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.903 0.382 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 154.53 55.83 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.5 mt 42.33 19.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.864 0.364 . . . . 0.0 110.591 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLY . 56.0 tp -62.83 -43.22 99.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m -60.79 -45.08 95.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -68.12 -41.39 81.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 26.18 19.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.44 75.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.44 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.42 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.231 0.093 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . 173.51 50.48 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.2 mt 46.98 13.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.218 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 82.6 mt -63.03 -46.06 89.39 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.273 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.334 0.588 . . . . 0.0 109.882 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.08 -47.28 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.485 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -65.53 -31.85 81.46 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.43 80.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 110.576 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -7.44 73.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.36 -11.89 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -62.91 -16.98 61.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.404 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.02 10.42 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.548 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 79.35 34.02 33.71 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.55 -4.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.232 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.913 0.387 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.76 28.75 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -100.0 -3.1 32.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.03 -41.51 99.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 110.017 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -80.31 -1.44 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.84 -46.7 87.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.424 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.74 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.14 21.04 3.36 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.665 0.269 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.831 0.348 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.28 -26.29 0.2 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.95 -13.38 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.701 -0.293 . . . . 0.0 111.326 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.88 -46.62 88.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.132 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -63.81 -43.69 95.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 109.795 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.34 -41.38 98.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.543 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -60.26 -34.53 84.95 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.97 3.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.712 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.547 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.731 0.301 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -146.27 46.17 0.76 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt 43.97 18.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.665 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 2' ' ' GLY . 82.2 mt -62.85 -44.02 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -62.75 -46.02 89.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -69.82 -41.32 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -65.16 -37.44 94.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.77 19.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.92 -37.52 0.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.8 mt -99.56 -17.83 17.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.73 -41.8 97.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -60.08 -46.03 90.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.13 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.09 -41.12 86.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.008 0.432 . . . . 0.0 110.493 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 30.13 9.59 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.45 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.555 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.74 0.305 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.01 -11.92 1.18 Allowed Glycine 0 N--CA 1.466 0.681 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.84 -22.99 63.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.72 0.295 . . . . 0.0 111.135 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.47 -41.24 98.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.244 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -78.61 -2.54 39.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.919 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -59.46 -46.4 88.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.319 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.79 53.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.465 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.367 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.832 0.349 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 171.87 70.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.6 mt 53.42 8.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 110.05 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' GLY . 57.9 tp -62.76 -39.05 92.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.647 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 67.1 m -54.55 -45.24 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.62 -179.288 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -65.02 -42.1 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.011 0.434 . . . . 0.0 110.002 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.77 2.94 38.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' SER . . . -70.68 -7.45 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.458 0.17 . . . . 0.0 111.152 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.815 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.879 0.371 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 171.38 65.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt 43.93 18.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.435 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.561 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.67 -43.96 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.657 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -80.05 -2.55 44.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -59.78 -47.08 87.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.435 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.99 42.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.72 92.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.863 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.682 0.277 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.41 79.33 0.05 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt 43.76 28.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.482 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.37 -39.71 95.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -59.08 -44.61 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -63.36 -42.64 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.75 20.67 37.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -8.87 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.02 -31.18 0.02 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.12 -37.43 82.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.13 -40.58 94.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -58.98 -45.53 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.094 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -66.87 -40.19 87.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.39 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 23.06 14.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.55 -39.12 72.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.509 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.621 0.248 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 163.66 34.41 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt 56.15 1.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.539 0.209 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 2' ' ' GLY . 83.3 mt -63.31 -43.71 97.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.976 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -78.05 -24.61 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.49 -46.85 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -64.39 1.22 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.83 25.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.66 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.935 0.398 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.96 -34.48 61.96 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.485 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.89 -35.87 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 -179.144 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -62.09 -42.22 98.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -79.57 1.96 24.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.064 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -59.36 -46.77 87.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.37 -179.645 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.3 59.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.75 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.84 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.99 57.9 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.38 -37.07 85.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' ALA . 57.2 tp -60.06 -38.36 82.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -58.67 -44.84 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.844 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -64.43 -42.1 96.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.429 . . . . 0.0 110.097 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.63 39.08 3.01 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -57.99 -36.81 73.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.756 -179.385 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.41 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.902 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.75 0.309 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.64 -50.97 0.18 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.36 -34.88 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.7 -40.33 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -58.6 -22.37 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.726 -179.072 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.21 12.56 3.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.441 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 27.35 57.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -9.34 43.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.281 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.985 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.04 -42.43 94.63 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.58 -40.19 95.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.476 -0.362 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.88 -50.07 73.7 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 -179.768 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -64.85 -45.27 86.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.185 0.517 . . . . 0.0 110.369 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -62.28 -45.44 93.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 30.89 9.34 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.25 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.762 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.62 -71.87 0.3 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.41 -39.57 94.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.269 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.51 -48.09 82.61 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -66.41 -45.22 80.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 110.29 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -63.43 -44.84 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.867 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 4.29 65.67 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.25 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.361 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.763 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.68 -34.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.77 -9.85 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.331 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -63.3 -42.01 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -60.68 -45.92 92.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -65.0 -43.07 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 110.091 179.415 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.12 31.19 8.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.09 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.628 0.252 . . . . 0.0 110.648 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.987 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.11 -24.09 31.49 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.4 -3.56 56.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.424 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.47 -44.78 95.56 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.139 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.9 t -73.3 -32.45 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.118 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 77.5 t80 -57.63 0.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 79.76 29.89 45.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.01 52.29 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.362 . . . . 0.0 110.603 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.948 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.809 0.338 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -166.07 63.45 0.22 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.6 mt 50.02 9.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 0.0 110.573 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 2' ' ' GLY . 54.4 tp -63.26 -44.06 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.599 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 p -71.75 -19.11 62.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.34 -45.77 92.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -63.0 -37.05 94.33 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.8 13.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.862 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.613 0.244 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.48 -33.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.474 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.77 -6.41 58.18 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.678 -0.307 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.98 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.418 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -85.27 -15.54 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.43 -46.3 90.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.72 44.48 0.02 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.909 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.57 25.43 4.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.773 0.32 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.304 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.84 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.955 0.407 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.83 1.63 56.23 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.77 -11.59 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.857 0.361 . . . . 0.0 110.308 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.33 -40.7 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.314 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.6 t -61.48 -41.14 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.977 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -59.03 -0.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 82.34 35.18 21.2 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.63 82.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.052 0.453 . . . . 0.0 110.022 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.405 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.141 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.973 0.416 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.34 -0.66 50.26 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.12 -3.7 50.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.325 -0.438 . . . . 0.0 110.355 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.6 mm? -63.62 -42.08 98.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -71.88 -4.51 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -59.27 -47.37 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.23 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.99 -3.17 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.14 -179.465 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -79.37 72.81 6.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.248 0.524 . . . . 0.0 110.672 -179.76 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.919 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -171.35 47.16 0.19 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -179.855 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 mt 62.62 -5.05 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 2' ' ' GLY . 48.7 tp -63.34 -43.68 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.39 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -62.2 -29.9 70.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.399 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.71 -41.91 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.967 -179.221 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 34.34 0.12 Allowed Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -22.96 65.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.666 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.874 0.369 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.53 -31.72 2.5 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -40.34 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.204 . . . . 0.0 111.306 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.73 -51.26 69.12 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.591 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -66.0 -45.19 82.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.199 0.523 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -62.27 -44.52 96.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.377 -179.645 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 4.56 69.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.286 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.6 38.68 1.26 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.736 -0.273 . . . . 0.0 111.535 -179.404 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.32 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.431 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.45 -43.72 0.3 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.69 -8.31 12.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.645 ' C ' HD23 ' A' ' 4' ' ' LEU . 8.2 tt -61.97 -46.66 88.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.237 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 7' ' ' GLY . 29.2 t -119.97 -33.86 3.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 49.0 t80 54.29 7.09 0.12 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.061 -179.331 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 5' ' ' SER . . . -160.35 18.47 0.22 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 5' ' ' SER . . . -64.58 -11.54 35.77 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.627 0.251 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.959 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.012 0.434 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.89 0.73 56.23 Favored Glycine 0 C--N 1.333 0.379 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.427 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 94.5 mt -94.45 0.74 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.261 179.728 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.13 -37.75 7.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -82.05 -6.73 59.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.561 -179.451 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 4.3 p90 -60.31 -47.73 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.405 -179.324 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.571 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -116.41 19.64 12.87 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 -179.089 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.47 71.01 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.455 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.79 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.893 0.378 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.07 30.09 2.86 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.693 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt 43.55 27.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.821 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.55 -40.71 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.493 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 2.25 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.09 178.816 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 81.6 t80 47.65 52.29 12.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.164 -179.796 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 77.07 19.02 77.92 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.7 6.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.291 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.677 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.551 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.14 -29.54 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.54 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.7 mt -86.0 -5.68 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.313 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -40.68 96.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.331 -179.558 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -61.97 -22.03 65.32 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.517 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.432 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.27 57.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.44 1.46 51.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.521 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.674 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.906 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.24 -28.52 0.63 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -88.0 -4.86 58.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 4' ' ' LEU . 4.7 tt -62.18 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 109.838 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -78.81 -2.08 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -58.76 -48.2 82.04 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.389 -179.296 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.622 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -105.47 6.39 41.88 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.661 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 63.74 -7.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 109.744 -178.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . -142.69 36.94 1.58 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.3 mt 47.14 16.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 0.0 110.258 -179.454 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 79.0 mt -63.02 -41.89 99.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -63.52 -44.83 93.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.729 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.38 -40.86 85.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.113 0.482 . . . . 0.0 110.191 179.628 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.3 -34.19 88.77 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.27 58.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.314 -179.594 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.509 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.809 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.887 0.375 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.97 -23.35 0.17 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.17 -19.81 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.757 0.313 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 8' ' ' ALA . 11.7 tp -61.11 -40.42 93.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -55.79 -33.85 64.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.811 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -86.02 0.39 53.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.888 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.6 14.83 4.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -60.78 -24.93 66.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.767 0.318 . . . . 0.0 110.64 -179.76 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.576 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.296 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.8 -35.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.82 -8.86 53.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.717 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.26 -41.34 99.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -59.0 -47.06 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.526 -179.345 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 41.36 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.02 60.41 1.21 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.853 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.01 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -146.58 17.78 1.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.113 179.939 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.1 tt -62.34 -40.41 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.979 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -49.46 -37.72 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.518 -179.322 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -61.88 -44.79 96.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -33.58 81.8 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.56 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.566 0.222 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.941 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.467 0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.63 -53.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 7' ' ' GLY . 97.5 mt -84.39 -11.49 56.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 179.762 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.14 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -86.45 -54.07 4.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.71 -46.42 85.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.401 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -88.76 21.61 25.68 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 78.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.519 0.294 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.786 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.08 -51.26 0.74 Allowed Glycine 0 N--CA 1.466 0.664 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.328 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.51 -32.41 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.271 179.616 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -61.23 -39.63 91.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.601 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -56.95 -44.78 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.323 -179.608 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.71 -40.79 84.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.465 179.32 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.53 15.67 61.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -59.17 -27.97 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.773 -179.8 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.913 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.588 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -151.95 38.9 0.79 Allowed Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.925 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 56.86 -3.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.987 0.422 . . . . 0.0 110.609 179.762 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 2' ' ' GLY . 51.2 tp -61.67 -45.64 93.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.237 179.381 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -68.14 -35.7 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.31 -43.16 98.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.567 179.471 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 1.83 64.28 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.897 -179.309 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.33 -8.22 37.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.96 0.41 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.726 0.298 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 -40.19 95.35 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.02 -38.68 91.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.973 0.416 . . . . 0.0 110.267 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.28 -40.76 98.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.379 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -79.08 -2.1 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -58.79 -45.67 89.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.073 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.41 31.49 0.28 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.26 61.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.432 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' CA ' ' OG ' ' A' ' 12' ' ' SER . . . 152.72 38.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 96.8 t -62.34 -46.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.86 -8.07 35.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.408 ' OG ' ' CA ' ' A' ' 9' ' ' GLY . 19.7 p -86.75 -4.43 59.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.886 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.81 -52.11 0.1 Allowed Pre-proline 0 N--CA 1.47 0.542 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.802 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 42.6 Cg_exo -54.09 -50.37 13.83 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.802 1.668 . . . . 0.0 112.223 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.26 -42.6 96.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -63.46 -40.24 96.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -61.67 -41.61 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.84 -45.9 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 109.989 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -43.42 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.893 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.71 -65.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 mt -62.47 -41.88 99.09 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.3 -28.11 1.52 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.56 -15.92 22.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.484 0.183 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -44.66 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.907 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.08 -47.0 84.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.02 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.73 -45.12 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.844 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.49 17.36 58.64 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.4 70.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.791 0.329 . . . . 0.0 110.976 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 78.07 -9.37 32.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 54.3 t -64.36 -46.25 93.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.06 -11.87 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' HD22 ' A' ' 16' ' ' LEU . 4.4 m -78.33 -2.79 39.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.485 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mp -107.15 -55.38 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.549 -0.263 . . . . 0.0 111.082 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 44.8 Cg_exo -55.0 -48.08 23.1 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.014 1.809 . . . . 0.0 113.392 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.93 -43.51 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.377 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.8 mp -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.55 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 26.7 t-20 -61.8 -42.35 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.37 -45.91 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 109.931 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.17 -43.52 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.341 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -16.11 43.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.674 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.534 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.94 -40.35 97.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.985 0.422 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.93 -13.99 9.71 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.24 -37.9 89.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.32 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.5 mt -61.71 -38.92 89.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.944 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -57.55 -45.18 85.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.11 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 -40.14 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.29 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 34.67 5.58 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -58.97 -31.08 68.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.531 0.205 . . . . 0.0 110.99 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.81 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 11' ' ' ALA . 35.5 m -62.54 -40.23 87.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.718 0.294 . . . . 0.0 110.699 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 10' ' ' VAL . . . -77.76 23.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.423 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 13' ' ' LEU . 5.5 m -105.82 33.82 3.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.518 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -163.34 -48.7 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.147 179.575 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.518 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 31.6 Cg_exo -58.55 -49.7 11.3 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.861 1.707 . . . . 0.0 111.883 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.32 -41.87 93.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 mt -63.52 -40.41 96.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 47.6 t-20 -62.64 -41.41 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.438 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.43 -46.54 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.049 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.17 -43.61 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.806 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -5.85 59.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.52 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.97 -41.42 99.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.5 -34.48 0.54 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -89.5 -9.23 50.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.604 0.24 . . . . 0.0 110.655 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.14 -47.32 85.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -64.13 -44.1 93.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 0.0 109.991 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.72 -46.45 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.858 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -87.89 21.64 22.25 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 37.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.639 0.256 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . -159.1 -54.9 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.41 -46.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.641 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.7 -14.14 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -68.71 -10.66 57.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.678 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.5 mp -90.51 -65.88 0.15 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 28.8 Cg_endo -59.74 -42.91 42.05 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.51 2.14 . . . . 0.0 113.019 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.54 -43.89 97.69 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.485 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -65.21 -39.42 92.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.151 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.71 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.4 -45.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.41 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.798 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.05 62.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.517 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.032 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.0 -42.28 99.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.92 -25.2 1.93 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.86 4.8 53.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 0.0 110.163 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.912 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -59.28 -46.59 88.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.674 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -64.21 -42.83 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.696 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.76 23.59 25.08 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 54.75 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.41 15.03 81.88 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.5 -45.48 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.8 -23.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.128 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -69.8 -14.69 62.89 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -110.71 -52.55 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.649 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 56.7 Cg_exo -51.25 -44.81 40.75 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.791 1.66 . . . . 0.0 112.18 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.84 -41.97 97.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.911 0.386 . . . . 0.0 110.325 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -63.46 -41.66 98.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.42 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.15 -41.45 99.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.44 -45.31 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.11 -43.36 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.813 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.92 59.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.619 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.91 -39.83 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.99 -6.92 17.25 Favored Glycine 0 N--CA 1.466 0.668 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -89.85 -3.95 57.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 110.226 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.9 mm? -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -61.35 -45.66 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -66.38 -42.43 87.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.948 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.62 25.48 20.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.28 76.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.622 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 76.02 24.12 69.99 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.305 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.99 -48.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.37 -26.86 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.836 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' HD13 ' A' ' 16' ' ' LEU . 38.0 m -60.59 -28.07 68.21 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.668 -0.413 . . . . 0.0 109.902 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.2 -53.92 0.12 Allowed Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.39 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -49.67 -41.18 46.27 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.809 1.673 . . . . 0.0 112.946 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.95 -42.57 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.673 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.4 mp -63.19 -39.54 94.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.058 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 23.7 t-20 -61.36 -39.59 91.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.66 -47.29 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.265 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.14 -43.73 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.32 -20.66 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.245 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.536 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.411 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.028 0.442 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.94 -5.04 49.92 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.47 -5.39 46.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.256 -0.472 . . . . 0.0 110.289 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.35 -41.28 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -78.34 -3.66 44.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -59.49 -45.39 91.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.127 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.78 32.94 0.24 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -12.37 60.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.694 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.04 32.25 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 67.2 t -65.44 -43.1 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 83.87 -9.85 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.614 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.3 t -102.23 20.73 16.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.076 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -162.0 -47.89 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 33.3 Cg_exo -57.84 -50.27 10.82 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.716 1.61 . . . . 0.0 112.19 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.11 -41.79 94.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.62 -39.89 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.744 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 65.4 t30 -61.74 -41.68 97.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.26 -46.65 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.56 -43.44 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.85 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.17 -17.18 55.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.511 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.04 -41.86 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -11.8 3.08 Favored Glycine 0 N--CA 1.464 0.532 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' ALA . 87.0 mt -86.62 -4.88 59.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.19 -42.98 99.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 7' ' ' GLY . 11.4 t -61.59 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -72.03 13.03 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 81.83 25.86 51.58 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . 58.44 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -159.34 12.68 0.2 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 11' ' ' ALA . 9.1 m -72.1 -44.51 65.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.312 . . . . 0.0 111.414 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' N ' HG23 ' A' ' 10' ' ' VAL . . . -86.53 5.81 33.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.196 0.522 . . . . 0.0 109.997 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m -95.66 29.7 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.674 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -156.48 -52.58 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.255 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 32.4 Cg_exo -56.67 -53.08 5.61 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.655 1.57 . . . . 0.0 112.236 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.64 -42.62 95.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.167 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 91.6 m-20 -61.27 -41.19 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.515 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.0 -46.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.997 0.427 . . . . 0.0 109.911 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.78 -43.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.882 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.07 -2.43 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.27 -41.63 98.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.857 0.361 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.78 -34.37 0.63 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.0 -40.65 98.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.413 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ALA . 56.8 mt -61.96 -40.2 94.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.214 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -60.39 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -68.43 -38.81 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.371 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.03 12.27 70.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -55.56 81.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . 88.32 -9.96 73.25 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 10' ' ' VAL . 60.1 t 58.81 -5.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.279 -0.461 . . . . 0.0 111.286 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -90.83 -1.05 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.043 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.5 p -85.83 -7.5 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.466 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -106.08 -51.23 0.1 Allowed Pre-proline 0 N--CA 1.47 0.561 0 N-CA-C 110.698 -0.112 . . . . 0.0 110.698 -179.677 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 39.8 Cg_exo -55.05 -49.38 16.75 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 121.893 1.729 . . . . 0.0 112.465 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.34 -42.56 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.4 mm? -63.8 -40.41 96.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.472 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.63 -46.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.432 . . . . 0.0 109.931 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.84 -43.61 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.067 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.47 -68.89 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.64 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.981 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.16 -41.85 99.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.35 -17.0 1.01 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -88.05 -1.26 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.739 0.304 . . . . 0.0 110.327 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.179 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 6.12 16.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.79 -46.8 88.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -127.77 -10.71 3.47 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.61 16.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 146.18 -28.94 1.67 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 12' ' ' SER . 94.1 t -64.53 -42.9 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.435 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.32 -5.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' LEU . 45.7 p -84.07 18.57 2.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.639 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -140.54 -53.39 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.346 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 45.4 Cg_exo -55.26 -49.02 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.636 1.557 . . . . 0.0 112.304 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -43.38 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 12' ' ' SER . 38.5 mt -64.77 -38.47 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.924 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 99.2 m-20 -61.33 -41.08 96.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.584 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.45 -46.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 mm -64.11 -43.49 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.759 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.33 -15.68 54.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.587 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.55 -40.94 98.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.268 0.355 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.49 -34.85 90.32 Favored Glycine 0 CA--C 1.515 0.054 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.1 mt -65.18 -34.87 79.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.92 -40.16 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -76.84 -3.71 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.636 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.68 -46.76 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.55 60.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' CA ' ' OG ' ' A' ' 12' ' ' SER . . . 178.84 27.93 0.05 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 11' ' ' ALA . 34.8 m -64.18 -44.56 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' N ' HG23 ' A' ' 10' ' ' VAL . . . -90.5 -1.33 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.133 0.492 . . . . 0.0 109.725 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.47 ' OG ' ' CA ' ' A' ' 9' ' ' GLY . 84.9 p -87.46 -4.05 59.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.216 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -107.51 -51.56 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 98.6 Cg_endo -82.22 -62.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.037 1.825 . . . . 0.0 113.764 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.303 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.86 -41.36 99.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.869 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 83.9 m-20 -62.74 -41.12 99.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.638 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.2 -46.05 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 109.831 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.1 -43.39 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.03 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 4.1 24.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.631 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.53 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.16 -40.95 0.45 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.31 -39.71 94.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.37 -44.07 97.32 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.333 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -71.17 -47.44 57.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.36 -49.46 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.24 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -69.74 -39.87 76.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.24 11.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.036 0.446 . . . . 0.0 110.632 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 98.45 -19.56 53.94 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 13' ' ' LEU . 7.1 t -63.56 -44.19 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.677 0.275 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 68.91 38.66 2.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 67.48 21.68 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.474 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' H ' HG12 ' A' ' 10' ' ' VAL . 5.8 tp 44.78 70.31 2.03 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -94.79 -71.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 123.512 2.808 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.87 -40.9 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.622 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.2 mp -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 0.0 110.133 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 51.9 t-20 -61.91 -40.53 95.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.68 -47.71 91.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.401 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.7 mm -67.39 -43.44 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.048 0.451 . . . . 0.0 109.852 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -66.6 0.67 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.998 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 120.237 -1.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 154.53 55.83 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.5 mt 42.33 19.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.864 0.364 . . . . 0.0 110.591 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLY . 56.0 tp -62.83 -43.22 99.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m -60.79 -45.08 95.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -68.12 -41.39 81.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 26.18 19.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.44 75.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.44 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.7 -16.3 0.02 OUTLIER Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.42 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 10' ' ' VAL . 6.0 t -60.38 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.782 0.291 . . . . 0.0 110.983 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.76 -11.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 t -67.18 -17.57 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.79 -52.05 0.11 Allowed Pre-proline 0 N--CA 1.477 0.897 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.52 -43.91 53.53 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.041 1.827 . . . . 0.0 112.536 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.068 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.03 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 51.2 t-20 -61.86 -40.15 94.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.935 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.22 -47.1 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.593 -0.443 . . . . 0.0 109.884 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 mm -66.15 -43.2 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.023 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.84 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.516 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.05 -41.83 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . 173.51 50.48 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.2 mt 46.98 13.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.218 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 82.6 mt -63.03 -46.06 89.39 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.273 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.334 0.588 . . . . 0.0 109.882 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.08 -47.28 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.485 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -65.53 -31.85 81.46 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.43 80.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 110.576 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 139.19 -25.09 2.79 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG12 ' H ' ' A' ' 12' ' ' SER . 54.2 t -63.05 -45.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 66.95 -21.82 0.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.552 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.715 ' H ' HG12 ' A' ' 10' ' ' VAL . 41.8 m -86.38 11.51 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 0.0 110.74 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.61 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 1.2 tp -153.27 -44.56 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.61 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 39.8 Cg_exo -57.22 -55.41 2.58 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.45 1.434 . . . . 0.0 112.653 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.03 -43.3 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.636 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.72 -41.08 96.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.712 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -61.49 -41.94 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.38 -45.46 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.863 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.67 -43.76 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.977 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -6.38 59.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.514 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.034 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp -89.18 -5.5 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -7.44 73.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.36 -11.89 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -62.91 -16.98 61.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.404 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.02 10.42 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.548 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 79.35 34.02 33.71 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.55 -4.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.232 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 174.27 74.99 0.05 OUTLIER Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -43.95 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 110.186 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.76 -12.39 61.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.411 ' O ' HD13 ' A' ' 16' ' ' LEU . 7.4 t -64.77 -10.59 28.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.9 mp -92.05 -65.92 0.13 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 25.9 Cg_endo -59.27 -36.09 95.66 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.47 2.113 . . . . 0.0 113.424 -178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.24 -43.87 97.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.177 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.6 mp -66.42 -39.05 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.335 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 93.2 m-20 -61.26 -41.76 97.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.92 -46.77 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 109.999 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.68 -43.65 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.861 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.33 51.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.453 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.526 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.51 -39.21 92.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.76 28.75 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -100.0 -3.1 32.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.03 -41.51 99.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 110.017 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -80.31 -1.44 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.84 -46.7 87.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.424 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.74 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.14 21.04 3.36 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.665 0.269 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.5 -14.92 0.55 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.49 -45.43 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.07 10.61 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -115.39 43.59 2.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.758 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 11.4 tp -150.31 -63.91 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.901 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 37.5 Cg_endo -62.24 -51.48 3.5 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.201 1.934 . . . . 0.0 112.492 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.5 -43.2 99.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.679 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -39.16 93.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.879 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 6.2 m120 -60.37 -39.81 88.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.525 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.3 -47.16 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.013 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mm -67.5 -42.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.142 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.84 -4.66 55.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.792 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.61 -8.32 54.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.28 -26.29 0.2 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.95 -13.38 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.701 -0.293 . . . . 0.0 111.326 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.88 -46.62 88.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.132 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -63.81 -43.69 95.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 109.795 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.34 -41.38 98.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.543 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -60.26 -34.53 84.95 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.97 3.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 85.79 22.58 49.3 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.547 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 74.7 t -63.49 -21.97 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 83.26 -15.32 0.65 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.293 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -85.74 -10.95 54.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.252 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.546 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -118.07 -50.16 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.836 -179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 47.0 Cg_exo -55.0 -45.91 37.3 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.94 1.76 . . . . 0.0 112.649 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.54 -42.39 98.41 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.673 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.8 mp -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.153 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 28.9 t-20 -62.05 -42.27 99.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.52 -46.97 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.357 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mm -65.11 -43.43 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.915 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.27 -33.8 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.87 -41.64 99.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.731 0.301 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -146.27 46.17 0.76 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt 43.97 18.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.665 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 2' ' ' GLY . 82.2 mt -62.85 -44.02 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -62.75 -46.02 89.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -69.82 -41.32 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -65.16 -37.44 94.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.77 19.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . 136.72 76.33 0.07 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.76 -45.45 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.719 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.42 -19.39 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.217 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' HD23 ' A' ' 16' ' ' LEU . 22.3 t -66.61 -7.85 23.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.298 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 3.8 mm? -90.54 -65.18 0.17 Allowed Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.392 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 27.9 Cg_endo -59.3 -39.67 75.53 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.368 2.045 . . . . 0.0 113.117 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.1 -43.32 98.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.955 0.407 . . . . 0.0 110.326 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 12' ' ' SER . 3.0 mm? -64.85 -38.48 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.299 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.66 -40.6 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.48 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.85 -43.53 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.524 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -23.56 60.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.7 -41.14 98.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.92 -37.52 0.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.8 mt -99.56 -17.83 17.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.73 -41.8 97.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -60.08 -46.03 90.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.13 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.09 -41.12 86.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.008 0.432 . . . . 0.0 110.493 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 30.13 9.59 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.45 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.555 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.63 -34.2 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.78 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 49.95 37.71 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t 66.93 15.14 10.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.765 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 tt 54.02 68.8 2.52 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -95.36 -65.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 123.503 2.802 . . . . 0.0 112.713 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.05 -41.33 99.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.83 -39.46 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.1 t-20 -59.68 -40.84 89.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.714 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.73 -47.5 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.1 mm -66.89 -43.47 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.027 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.46 34.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.631 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.95 -42.66 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.215 0.322 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.01 -11.92 1.18 Allowed Glycine 0 N--CA 1.466 0.681 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.84 -22.99 63.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.72 0.295 . . . . 0.0 111.135 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.47 -41.24 98.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.244 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -78.61 -2.54 39.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.919 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -59.46 -46.4 88.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.319 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.79 53.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.42 -28.6 1.07 Allowed Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t 49.6 21.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.431 . . . . 0.0 110.01 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.97 1.69 17.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.513 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 16' ' ' LEU . 73.0 m -77.3 -8.09 57.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -110.92 -52.25 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 121.436 -0.105 . . . . 0.0 111.139 -179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 60.5 Cg_exo -50.89 -44.68 40.25 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.056 1.838 . . . . 0.0 112.649 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.12 -43.2 99.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.1 mp -64.15 -39.6 94.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.906 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 93.7 m-20 -61.75 -41.38 97.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.36 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.21 -46.67 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.164 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.77 -43.66 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 109.821 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.75 -28.26 58.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.227 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 171.87 70.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.6 mt 53.42 8.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 110.05 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' GLY . 57.9 tp -62.76 -39.05 92.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.647 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 67.1 m -54.55 -45.24 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.62 -179.288 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -65.02 -42.1 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.011 0.434 . . . . 0.0 110.002 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.77 2.94 38.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' SER . . . -70.68 -7.45 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.458 0.17 . . . . 0.0 111.152 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.79 -35.57 0.09 OUTLIER Glycine 0 N--CA 1.463 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' SER . 85.3 t -61.61 -49.14 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.797 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 33.3 26.44 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.427 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 10' ' ' VAL . 8.6 t -124.01 37.85 4.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.317 -179.371 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -177.63 -50.0 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.336 179.887 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 42.2 Cg_exo -55.34 -49.36 16.47 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.992 1.795 . . . . 0.0 112.25 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.63 -43.16 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.5 mm? -64.34 -39.65 94.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.05 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 HD21 HD22 ' A' ' 13' ' ' LEU . 98.9 m-20 -62.46 -41.46 98.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 -179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -64.49 -46.01 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.81 -43.37 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.205 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.2 -4.47 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.1 -41.95 99.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 171.38 65.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt 43.93 18.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.435 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.561 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.67 -43.96 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.657 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -80.05 -2.55 44.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -59.78 -47.08 87.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.435 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.99 42.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.72 92.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.72 48.56 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.76 -45.38 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.56 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.377 -179.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.8 p -64.24 -14.1 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.096 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 4.0 mm? -87.62 -64.23 0.21 Allowed Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.053 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 24.8 Cg_endo -58.94 -39.94 76.22 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.332 2.022 . . . . 0.0 113.47 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.9 mt -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.599 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.18 -38.9 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.336 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 92.6 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -46.33 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -43.75 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.68 -8.67 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.87 -41.76 99.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.682 0.277 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.41 79.33 0.05 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt 43.76 28.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.482 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.37 -39.71 95.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -59.08 -44.61 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -63.36 -42.64 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.75 20.67 37.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -8.87 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.38 58.97 0.43 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' A' ' 12' ' ' SER . 75.4 t -63.32 -25.27 38.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.47 2.95 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.0 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 70.1 m -90.5 26.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.124 -179.236 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -145.08 -48.87 0.02 OUTLIER Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.727 179.86 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.595 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 33.1 Cg_exo -59.43 -52.2 5.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.929 1.753 . . . . 0.0 112.669 -178.736 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.55 -42.38 95.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.732 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 12' ' ' SER . 37.0 mt -64.04 -39.16 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.61 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.631 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.94 -47.7 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.224 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -64.7 -43.45 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.949 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.07 -59.5 2.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.88 -0.14 57.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.02 -31.18 0.02 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.12 -37.43 82.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.13 -40.58 94.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -58.98 -45.53 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.094 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -66.87 -40.19 87.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.39 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 23.06 14.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.55 -39.12 72.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.509 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.39 52.51 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 84.0 t -82.33 -74.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.849 0.357 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.37 -11.41 22.5 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.366 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.2 t -79.44 -4.77 52.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.51 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -113.48 -52.32 0.05 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 43.7 Cg_exo -53.64 -46.29 34.79 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.698 1.599 . . . . 0.0 112.473 -178.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.14 -44.96 90.56 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.61 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.3 mp -64.28 -37.74 88.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.116 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 19.0 m120 -60.33 -40.59 91.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.744 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.32 -47.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.2 -43.91 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.193 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.92 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.4 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.189 -1.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.15 -3.42 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.305 0.378 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 163.66 34.41 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt 56.15 1.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.539 0.209 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 2' ' ' GLY . 83.3 mt -63.31 -43.71 97.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.976 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -78.05 -24.61 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.49 -46.85 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -64.39 1.22 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.83 25.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.51 82.33 0.82 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.16 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 110.636 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -8.37 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 16' ' ' LEU . 5.2 m -65.87 -8.57 22.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.0 mp -93.36 -66.08 0.11 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.819 -179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 32.7 Cg_endo -61.13 -33.51 90.94 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.364 2.043 . . . . 0.0 113.505 -178.775 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.88 -42.09 99.64 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.614 -178.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.8 mp -65.84 -39.87 91.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.665 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 45.6 t-20 -62.46 -41.22 98.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.076 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.79 -44.88 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.11 -43.84 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.385 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -23.85 53.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.381 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.96 -34.48 61.96 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.485 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.89 -35.87 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 -179.144 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -62.09 -42.22 98.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -79.57 1.96 24.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.064 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -59.36 -46.77 87.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.37 -179.645 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.3 59.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.75 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.51 70.9 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 73.3 t -93.37 -77.6 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.06 -4.79 42.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.503 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.1 p -88.03 -6.42 57.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.7 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -109.8 -46.51 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.667 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.749 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 92.0 Cg_endo -91.24 -57.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.451 2.101 . . . . 0.0 112.898 -178.747 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.64 -42.24 99.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.011 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.04 -39.81 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 4.1 m-20 -61.25 -40.48 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 -179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.84 -47.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.368 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 mm -66.9 -43.21 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.19 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.79 -65.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.88 -43.14 99.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.99 57.9 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.38 -37.07 85.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' ALA . 57.2 tp -60.06 -38.36 82.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -58.67 -44.84 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.844 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -64.43 -42.1 96.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.429 . . . . 0.0 110.097 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.63 39.08 3.01 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -57.99 -36.81 73.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.756 -179.385 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.567 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -134.94 -148.72 5.74 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t 59.85 -4.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.564 0.221 . . . . 0.0 110.996 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 48.55 32.87 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.038 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 p 70.57 16.08 7.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp 55.33 66.15 4.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.27 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -93.97 -73.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 123.001 2.467 . . . . 0.0 111.971 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.88 -38.62 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.315 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.81 -41.11 95.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.172 -179.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.45 -42.64 99.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.12 -45.11 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.465 . . . . 0.0 110.068 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.01 -43.35 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.881 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -36.97 74.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.452 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 64.7 mt 38.07 28.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.75 0.309 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . 171.64 -50.97 0.18 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.36 -34.88 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.7 -40.33 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -58.6 -22.37 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.726 -179.072 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.21 12.56 3.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.441 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . 78.67 27.35 57.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.604 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -9.34 43.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.281 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -100.33 -57.32 0.9 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.04 -44.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.914 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -77.82 7.45 5.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.276 -179.153 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 9' ' ' GLY . 60.8 p -113.98 43.05 1.91 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.223 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.667 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -144.57 -47.92 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.499 179.488 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 14.4 Cg_exo -70.17 -60.39 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.488 2.125 . . . . 0.0 112.516 -179.388 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.697 -178.515 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -41.1 99.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.431 -179.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.68 -42.16 98.54 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.05 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.2 -46.04 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.017 179.347 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.19 -43.31 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.863 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.88 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.007 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.63 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.759 0.314 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.04 -42.43 94.63 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.58 -40.19 95.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.476 -0.362 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.88 -50.07 73.7 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 -179.768 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -64.85 -45.27 86.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.185 0.517 . . . . 0.0 110.369 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -62.28 -45.44 93.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 30.89 9.34 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.25 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -153.98 -92.81 0.09 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 12' ' ' SER . 2.1 t 62.11 -6.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.619 0.247 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 42.24 18.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' VAL . 48.7 m -122.86 16.9 10.17 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -179.658 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -148.75 -48.09 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 23.2 Cg_exo -64.83 -57.8 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.037 1.825 . . . . 0.0 112.201 -179.329 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.87 -41.44 97.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.8 mp -62.27 -40.98 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.582 -179.616 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 51.8 t30 -62.55 -43.31 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -179.601 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.7 -47.71 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.273 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.4 mm -65.23 -43.36 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.048 179.62 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.77 -16.1 58.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.599 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.123 -1.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt 46.66 53.57 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.62 -71.87 0.3 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.41 -39.57 94.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.269 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.51 -48.09 82.61 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -66.41 -45.22 80.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 110.29 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -63.43 -44.84 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.867 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 4.29 65.67 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.25 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.361 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -51.29 0.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.55 -44.9 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.471 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 28.0 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.31 23.53 5.03 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.354 179.047 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt 50.57 67.97 3.85 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.132 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -93.99 -80.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 123.078 2.519 . . . . 0.0 112.373 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.6 mt -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.779 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.28 -41.93 97.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 -179.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -61.63 -41.09 97.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.9 t -63.73 -45.98 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.926 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.88 -43.51 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.815 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.65 -59.76 3.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.421 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.7 mt 39.4 28.79 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . -163.68 -34.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.77 -9.85 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.331 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -63.3 -42.01 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -60.68 -45.92 92.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -65.0 -43.07 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 110.091 179.415 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.12 31.19 8.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.09 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.628 0.252 . . . . 0.0 110.648 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.51 31.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.57 -78.28 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.0 -8.38 22.42 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.049 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.532 ' O ' HD12 ' A' ' 16' ' ' LEU . 57.9 m -85.86 9.57 16.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.358 -179.218 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -129.75 -53.27 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.25 -179.913 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 42.8 Cg_exo -56.14 -48.81 17.65 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 121.518 1.478 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.07 -43.67 94.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.401 . . . . 0.0 110.488 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 12' ' ' SER . 16.0 mt -66.73 -37.09 83.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.233 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 99.1 m-20 -61.17 -41.75 97.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -44.72 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.73 -43.49 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.668 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -4.2 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.84 -3.95 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.11 -24.09 31.49 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.4 -3.56 56.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.424 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.47 -44.78 95.56 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.139 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.9 t -73.3 -32.45 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.118 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 77.5 t80 -57.63 0.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 79.76 29.89 45.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.01 52.29 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.362 . . . . 0.0 110.603 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.34 40.13 0.02 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 11' ' ' ALA . 3.0 m -145.63 -50.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 110.6 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' H ' HG23 ' A' ' 10' ' ' VAL . . . -97.9 -9.04 26.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.221 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 16' ' ' LEU . 4.8 m -82.35 -7.24 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.927 -179.38 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 6.9 mp -94.51 -66.32 0.1 Allowed Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.305 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 25.2 Cg_endo -58.49 -42.5 54.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.347 2.031 . . . . 0.0 113.086 -178.722 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -42.47 99.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.21 -179.561 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 mm? -64.17 -39.54 94.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.82 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.49 -40.81 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.539 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.97 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.56 -43.49 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -23.62 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.099 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -166.07 63.45 0.22 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.6 mt 50.02 9.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 0.0 110.573 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 2' ' ' GLY . 54.4 tp -63.26 -44.06 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.599 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 p -71.75 -19.11 62.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.34 -45.77 92.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -63.0 -37.05 94.33 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.8 13.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . 153.73 -30.33 0.75 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.862 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.78 -44.83 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.621 0.248 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.96 39.0 28.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t 65.76 11.08 7.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.42 69.6 1.13 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.005 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -93.9 -72.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 123.288 2.659 . . . . 0.0 112.072 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.19 -40.4 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.597 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.69 -40.88 96.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.193 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.4 -41.24 96.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.36 -46.16 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 109.935 179.656 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.1 -43.58 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.711 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.62 87.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.47 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.97 -0.14 57.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.613 0.244 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.48 -33.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.474 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.77 -6.41 58.18 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.678 -0.307 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.98 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.418 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -85.27 -15.54 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.43 -46.3 90.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.72 44.48 0.02 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.909 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.57 25.43 4.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.773 0.32 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.29 -39.36 0.28 Allowed Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.84 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 88.5 t -64.84 -43.14 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 178.749 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 75.38 -63.62 0.4 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.297 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t 179.33 39.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.375 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 6.7 tp 45.59 54.01 13.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.032 -178.716 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 64.0 Cg_endo -94.24 -55.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 122.512 2.142 . . . . 0.0 111.488 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 46.6 mt -63.89 -40.39 96.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.221 179.836 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.9 mm? -62.15 -40.56 96.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.885 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 85.5 m-20 -62.05 -40.47 95.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.41 179.68 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.3 -46.09 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -43.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.688 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.4 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.067 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.25 -39.02 93.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.955 0.407 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.83 1.63 56.23 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.77 -11.59 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.857 0.361 . . . . 0.0 110.308 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.33 -40.7 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.314 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.6 t -61.48 -41.14 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.977 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -59.03 -0.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 82.34 35.18 21.2 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.63 82.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.052 0.453 . . . . 0.0 110.022 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -126.17 -23.52 1.58 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' SER . 3.1 t 63.42 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 110.697 179.735 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 45.43 15.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.957 0.408 . . . . 0.0 110.055 -179.507 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' VAL . 4.5 t -126.43 39.55 3.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.172 -179.705 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -172.2 -46.0 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 179.89 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -64.09 -57.49 0.34 Allowed 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.172 1.915 . . . . 0.0 112.114 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.2 -42.73 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.87 -40.94 99.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.691 -179.658 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -60.99 -39.54 90.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -179.621 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.47 -47.16 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.135 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.46 -43.52 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.084 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.2 -14.17 60.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.33 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.973 0.416 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.34 -0.66 50.26 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.12 -3.7 50.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.325 -0.438 . . . . 0.0 110.355 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.6 mm? -63.62 -42.08 98.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -71.88 -4.51 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -59.27 -47.37 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.23 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.99 -3.17 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.14 -179.465 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -79.37 72.81 6.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.248 0.524 . . . . 0.0 110.672 -179.76 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.19 -24.59 2.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.34 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.771 0.32 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 44.42 37.29 1.97 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -145.6 29.31 1.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.098 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -169.89 -44.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.936 -179.888 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.575 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 11.3 Cg_exo -71.58 -69.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.078 1.852 . . . . 0.0 111.728 -179.469 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -38.66 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.4 -42.31 95.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.306 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.2 -39.9 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.95 -46.27 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.21 -43.29 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.534 179.354 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.43 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.064 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.53 -41.2 98.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.308 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -171.35 47.16 0.19 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -179.855 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 mt 62.62 -5.05 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 2' ' ' GLY . 48.7 tp -63.34 -43.68 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.39 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -62.2 -29.9 70.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.399 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.71 -41.91 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.967 -179.221 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 34.34 0.12 Allowed Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -22.96 65.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 11' ' ' ALA . . . -148.11 17.2 1.36 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.666 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 10' ' ' VAL . 46.9 t 53.09 11.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' N ' ' C ' ' A' ' 9' ' ' GLY . . . -80.49 11.09 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.18 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' LEU . 97.0 p -81.31 -8.77 59.8 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.349 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.479 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -111.32 -50.34 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.765 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.085 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.479 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 38.2 Cg_exo -54.15 -44.37 49.92 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 122.106 1.871 . . . . 0.0 112.443 -179.198 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.16 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.454 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.4 mp -63.3 -39.92 95.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.068 179.654 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.88 -41.47 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.255 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.1 -45.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.87 -43.28 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.11 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.86 -57.39 3.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.527 -179.581 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.9 -42.04 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.53 -31.72 2.5 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -40.34 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.204 . . . . 0.0 111.306 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.73 -51.26 69.12 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.591 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -66.0 -45.19 82.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.199 0.523 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -62.27 -44.52 96.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.377 -179.645 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 4.56 69.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.286 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.6 38.68 1.26 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.736 -0.273 . . . . 0.0 111.535 -179.404 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.78 -39.36 0.02 OUTLIER Glycine 0 C--N 1.332 0.32 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.431 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -97.43 -43.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.855 179.191 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.71 -77.26 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.252 0.548 . . . . 0.0 110.404 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 10' ' ' VAL . 21.4 t -174.24 32.73 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.263 179.779 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.2 mm? 54.02 49.94 6.39 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.185 -178.78 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 95.3 Cg_endo -87.59 -55.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 122.045 1.83 . . . . 0.0 111.5 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.35 -41.03 96.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -62.13 -39.42 92.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.321 -179.725 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -60.84 -40.78 94.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.616 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.3 -47.74 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.162 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.18 -43.48 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.29 -19.64 64.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.657 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.096 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.05 -40.96 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.45 -43.72 0.3 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.69 -8.31 12.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' C ' HD23 ' A' ' 4' ' ' LEU . 8.2 tt -61.97 -46.66 88.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.237 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 7' ' ' GLY . 29.2 t -119.97 -33.86 3.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 49.0 t80 54.29 7.09 0.12 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.061 -179.331 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 5' ' ' SER . . . -160.35 18.47 0.22 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 5' ' ' SER . . . -64.58 -11.54 35.77 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.627 0.251 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.99 -25.63 0.08 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.7 -45.33 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.627 0.251 . . . . 0.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.6 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 -179.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -81.21 -5.81 58.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.682 -179.344 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.79 -52.25 0.11 Allowed Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.292 -179.365 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.62 -49.88 15.97 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.877 1.718 . . . . 0.0 112.328 -179.699 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.27 -42.97 92.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 0.0 110.667 -179.829 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -64.03 -40.5 96.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.83 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.27 -46.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 109.935 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.45 -43.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.084 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.46 -62.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.21 -39.16 93.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.012 0.434 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.89 0.73 56.23 Favored Glycine 0 C--N 1.333 0.379 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.427 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 94.5 mt -94.45 0.74 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.261 179.728 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.13 -37.75 7.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -82.05 -6.73 59.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.561 -179.451 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 4.3 p90 -60.31 -47.73 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.405 -179.324 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.571 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -116.41 19.64 12.87 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 -179.089 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.47 71.01 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.58 -3.05 75.94 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.89 -46.89 87.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.018 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.48 -31.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.246 -179.03 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -63.73 -12.38 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD23 HD21 ' A' ' 17' ' ' ASN . 0.7 OUTLIER -117.17 -52.36 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.002 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 16.6 Cg_exo -66.35 -63.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 121.908 1.739 . . . . 0.0 112.346 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.03 -40.64 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.534 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.93 -42.65 99.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.223 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 HD21 HD23 ' A' ' 13' ' ' LEU . 85.7 m-20 -62.71 -41.06 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.366 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.75 -45.47 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.009 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.98 -43.28 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.887 179.469 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.86 -42.05 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.645 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.68 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.07 30.09 2.86 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.693 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt 43.55 27.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.821 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.55 -40.71 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.493 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 2.25 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.09 178.816 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 81.6 t80 47.65 52.29 12.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.164 -179.796 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 77.07 19.02 77.92 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.7 6.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.291 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 80.23 27.14 53.38 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.551 179.538 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.89 -45.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.442 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.87 58.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.657 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -74.76 -1.2 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.692 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 6.4 mp -95.98 -66.73 0.08 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.384 -179.291 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 32.8 Cg_endo -60.17 -39.9 64.86 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.395 2.064 . . . . 0.0 113.503 -178.841 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.21 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.788 -178.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.7 mp -66.11 -39.18 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.67 179.529 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 27.7 t-20 -61.4 -41.33 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.31 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.64 -45.84 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.918 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.76 -43.47 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.446 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.48 -59.36 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.701 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.302 -1.476 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt 38.44 32.53 0.05 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.675 0.274 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.14 -29.54 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.54 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.7 mt -86.0 -5.68 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.313 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -40.68 96.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.331 -179.558 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -61.97 -22.03 65.32 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.517 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.432 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.27 57.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.44 1.46 51.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.521 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.06 -10.92 5.49 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 96.4 t -64.02 -42.76 96.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.457 -0.372 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 92.32 -14.87 0.17 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.749 0.656 . . . . 0.0 110.143 -179.497 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 -8.78 55.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.652 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 4.5 mp -111.04 -49.05 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.035 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 93.0 Cg_endo -81.81 -62.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.773 1.649 . . . . 0.0 113.142 -178.574 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.33 -40.77 98.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.885 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.353 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.5 t-20 -61.23 -39.65 91.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mm -65.64 -43.5 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.94 179.051 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.24 59.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.554 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.24 -28.52 0.63 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -88.0 -4.86 58.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 4' ' ' LEU . 4.7 tt -62.18 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 109.838 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -78.81 -2.08 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -58.76 -48.2 82.04 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.389 -179.296 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.622 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -105.47 6.39 41.88 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.661 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 63.74 -7.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 109.744 -178.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 170.47 -48.46 0.2 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 12' ' ' SER . 44.5 t -150.77 -76.49 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 CA-C-N 114.905 -0.647 . . . . 0.0 110.881 179.253 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.8 -9.68 0.1 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.282 -179.453 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.578 ' H ' HG12 ' A' ' 10' ' ' VAL . 96.8 p -90.07 3.09 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.513 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -149.17 -51.62 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.625 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 50.2 Cg_exo -53.87 -45.13 43.26 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 121.674 1.583 . . . . 0.0 112.49 -179.026 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.58 -42.3 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.99 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 64.8 t30 -61.0 -40.89 95.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.07 -43.55 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.463 179.408 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.33 -22.21 55.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.101 -1.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.1 mt 44.58 26.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . -142.69 36.94 1.58 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.3 mt 47.14 16.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 0.0 110.258 -179.454 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 79.0 mt -63.02 -41.89 99.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -63.52 -44.83 93.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.729 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.38 -40.86 85.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.113 0.482 . . . . 0.0 110.191 179.628 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -65.3 -34.19 88.77 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.27 58.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.314 -179.594 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.51 -59.37 0.92 Allowed Glycine 0 N--CA 1.464 0.509 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.809 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.24 -43.89 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.23 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 55.65 36.51 27.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 109.967 -179.228 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 65.48 17.63 11.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tp 53.1 69.44 2.32 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -94.86 -73.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 123.264 2.643 . . . . 0.0 112.369 179.88 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.29 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.481 -179.43 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.0 mp -61.68 -39.07 90.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.082 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.3 t-20 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.882 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.34 -46.13 94.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.059 179.037 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.656 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.86 -12.22 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.467 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.28 -1.72 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.97 -23.35 0.17 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.17 -19.81 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.757 0.313 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 8' ' ' ALA . 11.7 tp -61.11 -40.42 93.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -55.79 -33.85 64.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.811 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -86.02 0.39 53.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.888 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.6 14.83 4.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -60.78 -24.93 66.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.767 0.318 . . . . 0.0 110.64 -179.76 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -65.73 0.78 Allowed Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.296 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 12' ' ' SER . 49.7 t -62.24 -45.43 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.83 16.36 0.32 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.348 0.594 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.3 OUTLIER 77.39 30.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.652 -179.85 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mp 43.52 65.43 5.64 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-O 121.497 0.665 . . . . 0.0 110.341 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -90.8 -51.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.996 2.464 . . . . 0.0 111.783 179.659 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.02 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.329 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.2 mm? -61.54 -39.95 92.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.834 -179.501 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.16 -40.32 89.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 -179.426 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -46.77 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 179.793 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -64.67 -43.37 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.901 179.655 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -64.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.409 179.757 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.138 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.8 mt 38.44 31.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.8 -35.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.82 -8.86 53.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.717 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.26 -41.34 99.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -59.0 -47.06 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.526 -179.345 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 41.36 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.02 60.41 1.21 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.18 -49.71 0.26 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.853 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 13' ' ' LEU . 93.6 t -65.44 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.572 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.28 38.45 10.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.482 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 64.88 16.83 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.292 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' H ' HG12 ' A' ' 10' ' ' VAL . 6.0 tp 55.3 69.33 2.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -94.32 -73.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.368 2.712 . . . . 0.0 112.279 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.44 -39.63 95.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.83 -40.56 95.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.887 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -60.76 -41.51 95.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.664 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.52 -46.01 96.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 109.945 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.1 -43.56 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.68 179.232 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.47 -37.54 83.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.484 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.72 -41.99 99.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.01 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -146.58 17.78 1.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.113 179.939 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 4' ' ' LEU . 5.1 tt -62.34 -40.41 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.979 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -49.46 -37.72 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.518 -179.322 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -61.88 -44.79 96.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -33.58 81.8 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.56 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.566 0.222 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.27 92.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 13' ' ' LEU . 66.1 t -71.74 -24.42 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.844 0.354 . . . . 0.0 110.176 179.462 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.58 34.34 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t 64.03 19.53 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' H ' HG12 ' A' ' 10' ' ' VAL . 5.9 tp 50.93 70.32 2.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.82 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -93.64 -73.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 123.259 2.639 . . . . 0.0 112.711 -179.486 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.09 -40.33 97.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.695 -179.486 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.0 mp -61.57 -41.9 98.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.012 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 58.5 t-20 -63.2 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.65 -46.85 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.216 -179.975 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.87 -43.47 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.967 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -3.65 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.464 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.512 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.495 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.233 0.22 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 0' ' ' ACE . 80.6 mt 35.33 30.12 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . -155.63 -53.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 7' ' ' GLY . 97.5 mt -84.39 -11.49 56.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 179.762 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.14 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -86.45 -54.07 4.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.71 -46.42 85.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.401 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -88.76 21.61 25.68 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 78.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 137.05 43.5 0.09 OUTLIER Glycine 0 CA--C 1.519 0.294 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.786 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 12' ' ' SER . 16.5 m -59.11 -26.16 32.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.927 -0.637 . . . . 0.0 111.225 -178.573 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 22.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 10' ' ' VAL . 88.4 p -86.41 -6.08 59.01 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.926 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.621 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -137.88 -47.62 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.642 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.621 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 21.9 Cg_exo -63.76 -68.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.913 1.742 . . . . 0.0 112.175 -178.623 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.98 -38.29 90.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.11 -41.58 83.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 27.1 t-20 -62.34 -38.57 90.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.735 179.484 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.37 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.404 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.72 -43.38 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.041 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.72 -22.55 58.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.114 -1.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.508 ' C ' ' H ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt 50.42 8.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 0' ' ' ACE . . . -108.08 -51.26 0.74 Allowed Glycine 0 N--CA 1.466 0.664 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.328 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.51 -32.41 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.271 179.616 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -61.23 -39.63 91.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.601 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -56.95 -44.78 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.323 -179.608 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.71 -40.79 84.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.465 179.32 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.53 15.67 61.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -59.17 -27.97 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.773 -179.8 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -158.1 -128.51 1.02 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.913 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 t 64.49 -9.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.982 -179.605 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -164.73 -40.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.077 179.53 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -82.82 6.46 18.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -136.13 -50.14 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.235 -179.638 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -68.51 -65.89 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 121.915 1.743 . . . . 0.0 111.94 -179.45 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.81 -39.43 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.67 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.25 -41.59 97.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.656 -179.266 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.83 -40.94 97.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -63.1 -46.08 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.047 179.706 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.18 -43.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.775 179.503 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -33.46 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.2 -42.33 99.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.588 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -151.95 38.9 0.79 Allowed Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.925 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 56.86 -3.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.987 0.422 . . . . 0.0 110.609 179.762 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 2' ' ' GLY . 51.2 tp -61.67 -45.64 93.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.237 179.381 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -68.14 -35.7 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.31 -43.16 98.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.567 179.471 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 1.83 64.28 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.897 -179.309 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.33 -8.22 37.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.96 0.41 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.75 59.7 0.39 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -179.738 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' A' ' 12' ' ' SER . 75.0 t -61.89 -44.52 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -179.825 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.79 -7.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.918 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 10' ' ' VAL . 8.1 t -74.99 -8.08 55.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.221 -179.241 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 1.7 mp -111.9 -51.36 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.556 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 46.6 Cg_exo -53.57 -46.8 31.09 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.893 1.729 . . . . 0.0 112.222 -179.431 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.57 -42.44 95.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 179.742 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.1 mm? -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.832 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.71 -40.23 87.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.92 -46.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 mm -63.56 -44.02 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.892 179.204 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.66 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.336 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.019 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.726 0.298 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 -40.19 95.35 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.02 -38.68 91.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.973 0.416 . . . . 0.0 110.267 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.28 -40.76 98.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.379 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -79.08 -2.1 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -58.79 -45.67 89.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.073 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.41 31.49 0.28 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.26 61.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.432 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.232 0.157 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.3 -28.11 1.52 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.56 -15.92 22.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.484 0.183 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -44.66 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.907 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.08 -47.0 84.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.02 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.73 -45.12 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.844 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.49 17.36 58.64 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.4 70.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.791 0.329 . . . . 0.0 110.976 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.502 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.985 0.422 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.93 -13.99 9.71 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.24 -37.9 89.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.32 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.5 mt -61.71 -38.92 89.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.944 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -57.55 -45.18 85.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.11 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 -40.14 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.29 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 34.67 5.58 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -58.97 -31.08 68.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.531 0.205 . . . . 0.0 110.99 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.51 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.878 0.37 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.5 -34.48 0.54 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -89.5 -9.23 50.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.604 0.24 . . . . 0.0 110.655 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.14 -47.32 85.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -64.13 -44.1 93.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 0.0 109.991 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.72 -46.45 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.858 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -87.89 21.64 22.25 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 37.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.639 0.256 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.986 0.422 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.92 -25.2 1.93 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.86 4.8 53.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 0.0 110.163 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.912 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -59.28 -46.59 88.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.674 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -64.21 -42.83 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.696 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.76 23.59 25.08 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 54.75 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.466 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.626 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.785 0.326 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.99 -6.92 17.25 Favored Glycine 0 N--CA 1.466 0.668 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -89.85 -3.95 57.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 110.226 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.9 mm? -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -61.35 -45.66 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -66.38 -42.43 87.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.948 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.62 25.48 20.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.28 76.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.622 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.617 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.305 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.94 -5.04 49.92 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.47 -5.39 46.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.256 -0.472 . . . . 0.0 110.289 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.35 -41.28 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -78.34 -3.66 44.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -59.49 -45.39 91.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.127 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.78 32.94 0.24 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -12.37 60.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.694 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -11.8 3.08 Favored Glycine 0 N--CA 1.464 0.532 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' ALA . 87.0 mt -86.62 -4.88 59.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.19 -42.98 99.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 7' ' ' GLY . 11.4 t -61.59 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -72.03 13.03 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 81.83 25.86 51.58 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . 58.44 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.72 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.613 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.857 0.361 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.78 -34.37 0.63 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.0 -40.65 98.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.413 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ALA . 56.8 mt -61.96 -40.2 94.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.214 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -60.39 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -68.43 -38.81 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.371 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.03 12.27 70.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -55.56 81.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.486 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.338 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.35 -17.0 1.01 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -88.05 -1.26 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.739 0.304 . . . . 0.0 110.327 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.179 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 6.12 16.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.79 -46.8 88.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -127.77 -10.71 3.47 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.61 16.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.786 0.326 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.49 -34.85 90.32 Favored Glycine 0 CA--C 1.515 0.054 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.1 mt -65.18 -34.87 79.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.92 -40.16 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -76.84 -3.71 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.636 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.68 -46.76 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.55 60.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.732 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.16 -40.95 0.45 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.31 -39.71 94.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.37 -44.07 97.32 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.333 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -71.17 -47.44 57.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.36 -49.46 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.24 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -69.74 -39.87 76.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.24 11.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.036 0.446 . . . . 0.0 110.632 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.903 0.382 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 154.53 55.83 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.5 mt 42.33 19.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.864 0.364 . . . . 0.0 110.591 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLY . 56.0 tp -62.83 -43.22 99.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m -60.79 -45.08 95.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -68.12 -41.39 81.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 26.18 19.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.44 75.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.44 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.42 -179.891 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.231 0.093 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . 173.51 50.48 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.2 mt 46.98 13.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.218 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 82.6 mt -63.03 -46.06 89.39 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.273 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.334 0.588 . . . . 0.0 109.882 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.08 -47.28 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.485 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -65.53 -31.85 81.46 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.43 80.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 110.576 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -7.44 73.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.36 -11.89 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -62.91 -16.98 61.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.404 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.02 10.42 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.548 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 79.35 34.02 33.71 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.55 -4.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.232 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.913 0.387 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.76 28.75 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -100.0 -3.1 32.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.03 -41.51 99.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 110.017 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -80.31 -1.44 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.84 -46.7 87.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.424 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.74 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.14 21.04 3.36 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.665 0.269 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.831 0.348 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.28 -26.29 0.2 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.95 -13.38 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.701 -0.293 . . . . 0.0 111.326 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.88 -46.62 88.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.132 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -63.81 -43.69 95.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 109.795 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.34 -41.38 98.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.543 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -60.26 -34.53 84.95 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.97 3.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.712 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.547 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.731 0.301 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -146.27 46.17 0.76 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt 43.97 18.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.665 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 2' ' ' GLY . 82.2 mt -62.85 -44.02 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -62.75 -46.02 89.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -69.82 -41.32 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -65.16 -37.44 94.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.77 19.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.92 -37.52 0.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.8 mt -99.56 -17.83 17.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.73 -41.8 97.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -60.08 -46.03 90.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.13 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.09 -41.12 86.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.008 0.432 . . . . 0.0 110.493 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 30.13 9.59 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.45 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.555 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.74 0.305 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.01 -11.92 1.18 Allowed Glycine 0 N--CA 1.466 0.681 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.84 -22.99 63.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.72 0.295 . . . . 0.0 111.135 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.47 -41.24 98.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.244 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -78.61 -2.54 39.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.919 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -59.46 -46.4 88.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.319 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.79 53.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.465 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.367 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.832 0.349 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 171.87 70.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.6 mt 53.42 8.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 110.05 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' GLY . 57.9 tp -62.76 -39.05 92.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.647 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 67.1 m -54.55 -45.24 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.62 -179.288 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -65.02 -42.1 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.011 0.434 . . . . 0.0 110.002 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.77 2.94 38.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' SER . . . -70.68 -7.45 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.458 0.17 . . . . 0.0 111.152 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.815 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.879 0.371 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 171.38 65.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt 43.93 18.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.435 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.67 -43.96 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.657 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -80.05 -2.55 44.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -59.78 -47.08 87.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.435 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.99 42.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.72 92.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.863 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.682 0.277 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.41 79.33 0.05 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt 43.76 28.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.482 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.37 -39.71 95.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -59.08 -44.61 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -63.36 -42.64 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.75 20.67 37.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -8.87 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.02 -31.18 0.02 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.12 -37.43 82.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.13 -40.58 94.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -58.98 -45.53 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.094 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -66.87 -40.19 87.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.39 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 23.06 14.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.55 -39.12 72.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.509 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.621 0.248 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 163.66 34.41 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt 56.15 1.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.539 0.209 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 2' ' ' GLY . 83.3 mt -63.31 -43.71 97.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.976 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -78.05 -24.61 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.49 -46.85 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -64.39 1.22 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.83 25.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.66 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.935 0.398 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.96 -34.48 61.96 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.89 -35.87 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 -179.144 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -62.09 -42.22 98.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -79.57 1.96 24.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.064 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -59.36 -46.77 87.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.37 -179.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.3 59.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.75 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.84 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.99 57.9 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.38 -37.07 85.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' ALA . 57.2 tp -60.06 -38.36 82.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -58.67 -44.84 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.844 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -64.43 -42.1 96.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.429 . . . . 0.0 110.097 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.63 39.08 3.01 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -57.99 -36.81 73.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.756 -179.385 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.41 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.902 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.75 0.309 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.64 -50.97 0.18 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.36 -34.88 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.7 -40.33 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -58.6 -22.37 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.726 -179.072 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.21 12.56 3.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.441 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 27.35 57.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -9.34 43.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.281 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.793 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.985 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.04 -42.43 94.63 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.58 -40.19 95.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.476 -0.362 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.88 -50.07 73.7 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 -179.768 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -64.85 -45.27 86.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.185 0.517 . . . . 0.0 110.369 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -62.28 -45.44 93.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 30.89 9.34 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.25 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.762 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.62 -71.87 0.3 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.41 -39.57 94.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.269 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.51 -48.09 82.61 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -66.41 -45.22 80.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 110.29 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -63.43 -44.84 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.867 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 4.29 65.67 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.25 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.361 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.763 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.68 -34.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.77 -9.85 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.331 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -63.3 -42.01 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -60.68 -45.92 92.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -65.0 -43.07 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 110.091 179.415 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.12 31.19 8.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.09 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.628 0.252 . . . . 0.0 110.648 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.987 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.11 -24.09 31.49 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.4 -3.56 56.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.424 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.47 -44.78 95.56 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.139 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.9 t -73.3 -32.45 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.118 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 77.5 t80 -57.63 0.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 79.76 29.89 45.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.01 52.29 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.362 . . . . 0.0 110.603 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.948 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.809 0.338 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -166.07 63.45 0.22 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.6 mt 50.02 9.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 0.0 110.573 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 2' ' ' GLY . 54.4 tp -63.26 -44.06 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.599 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 p -71.75 -19.11 62.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.34 -45.77 92.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -63.0 -37.05 94.33 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.8 13.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.613 0.244 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.48 -33.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.474 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.77 -6.41 58.18 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.678 -0.307 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.98 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.418 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -85.27 -15.54 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.43 -46.3 90.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.72 44.48 0.02 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.909 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.57 25.43 4.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.773 0.32 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.304 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.84 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.955 0.407 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.83 1.63 56.23 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.77 -11.59 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.857 0.361 . . . . 0.0 110.308 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.33 -40.7 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.314 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.6 t -61.48 -41.14 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.977 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -59.03 -0.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 82.34 35.18 21.2 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.63 82.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.052 0.453 . . . . 0.0 110.022 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.405 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.141 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.973 0.416 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.34 -0.66 50.26 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.12 -3.7 50.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.325 -0.438 . . . . 0.0 110.355 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.6 mm? -63.62 -42.08 98.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -71.88 -4.51 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -59.27 -47.37 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.99 -3.17 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.14 -179.465 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -79.37 72.81 6.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.248 0.524 . . . . 0.0 110.672 -179.76 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.919 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -171.35 47.16 0.19 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -179.855 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 mt 62.62 -5.05 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 2' ' ' GLY . 48.7 tp -63.34 -43.68 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.39 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -62.2 -29.9 70.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.399 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.71 -41.91 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.967 -179.221 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 34.34 0.12 Allowed Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -22.96 65.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.666 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.874 0.369 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.53 -31.72 2.5 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -40.34 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.204 . . . . 0.0 111.306 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.73 -51.26 69.12 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.591 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -66.0 -45.19 82.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.199 0.523 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -62.27 -44.52 96.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.377 -179.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 4.56 69.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.286 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.6 38.68 1.26 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.736 -0.273 . . . . 0.0 111.535 -179.404 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.32 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.431 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.45 -43.72 0.3 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.69 -8.31 12.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 4' ' ' LEU . 8.2 tt -61.97 -46.66 88.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.237 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 7' ' ' GLY . 29.2 t -119.97 -33.86 3.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 49.0 t80 54.29 7.09 0.12 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.061 -179.331 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 5' ' ' SER . . . -160.35 18.47 0.22 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 5' ' ' SER . . . -64.58 -11.54 35.77 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.627 0.251 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.959 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.012 0.434 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.89 0.73 56.23 Favored Glycine 0 C--N 1.333 0.379 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.427 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 94.5 mt -94.45 0.74 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.261 179.728 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.13 -37.75 7.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -82.05 -6.73 59.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.561 -179.451 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 4.3 p90 -60.31 -47.73 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.405 -179.324 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.571 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -116.41 19.64 12.87 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 -179.089 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.47 71.01 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.455 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.79 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.893 0.378 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.07 30.09 2.86 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.693 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt 43.55 27.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.55 -40.71 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.493 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 2.25 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.09 178.816 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 81.6 t80 47.65 52.29 12.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.164 -179.796 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 77.07 19.02 77.92 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.7 6.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.291 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.677 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.551 179.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.14 -29.54 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.54 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.7 mt -86.0 -5.68 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.313 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -40.68 96.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.331 -179.558 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -61.97 -22.03 65.32 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.517 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.432 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.27 57.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.44 1.46 51.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.521 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.674 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.906 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.24 -28.52 0.63 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -88.0 -4.86 58.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 4' ' ' LEU . 4.7 tt -62.18 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 109.838 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -78.81 -2.08 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -58.76 -48.2 82.04 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.389 -179.296 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.622 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -105.47 6.39 41.88 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.661 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 63.74 -7.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 109.744 -178.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . -142.69 36.94 1.58 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.3 mt 47.14 16.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 0.0 110.258 -179.454 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 79.0 mt -63.02 -41.89 99.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -63.52 -44.83 93.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.729 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.38 -40.86 85.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.113 0.482 . . . . 0.0 110.191 179.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.3 -34.19 88.77 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.27 58.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.314 -179.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.509 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.809 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.887 0.375 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.97 -23.35 0.17 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.17 -19.81 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.757 0.313 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 8' ' ' ALA . 11.7 tp -61.11 -40.42 93.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -55.79 -33.85 64.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.811 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -86.02 0.39 53.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.888 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.6 14.83 4.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -60.78 -24.93 66.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.767 0.318 . . . . 0.0 110.64 -179.76 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.576 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.296 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.8 -35.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.82 -8.86 53.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.717 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.26 -41.34 99.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -59.0 -47.06 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.526 -179.345 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 41.36 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.02 60.41 1.21 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.853 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.73 0.3 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.01 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -146.58 17.78 1.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.113 179.939 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.1 tt -62.34 -40.41 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.979 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -49.46 -37.72 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.518 -179.322 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -61.88 -44.79 96.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -33.58 81.8 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.56 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.566 0.222 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.941 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.467 0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.63 -53.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 7' ' ' GLY . 97.5 mt -84.39 -11.49 56.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 179.762 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.14 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -86.45 -54.07 4.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.71 -46.42 85.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.401 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -88.76 21.61 25.68 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 78.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 CA--C 1.519 0.294 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.08 -51.26 0.74 Allowed Glycine 0 N--CA 1.466 0.664 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.328 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.51 -32.41 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.271 179.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -61.23 -39.63 91.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.601 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -56.95 -44.78 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.323 -179.608 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.71 -40.79 84.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.465 179.32 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.53 15.67 61.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -59.17 -27.97 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.773 -179.8 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.913 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.588 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -151.95 38.9 0.79 Allowed Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 56.86 -3.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.987 0.422 . . . . 0.0 110.609 179.762 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 2' ' ' GLY . 51.2 tp -61.67 -45.64 93.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.237 179.381 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -68.14 -35.7 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.31 -43.16 98.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.567 179.471 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 1.83 64.28 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.897 -179.309 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.33 -8.22 37.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.96 0.41 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.92 -41.51 99.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.726 0.298 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.88 -40.19 95.35 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.02 -38.68 91.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.973 0.416 . . . . 0.0 110.267 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.28 -40.76 98.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.379 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -79.08 -2.1 38.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -58.79 -45.67 89.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.073 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.41 31.49 0.28 Allowed Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.26 61.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.432 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' CA ' ' OG ' ' A' ' 12' ' ' SER . . . 152.72 38.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 96.8 t -62.34 -46.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.86 -8.07 35.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.408 ' OG ' ' CA ' ' A' ' 9' ' ' GLY . 19.7 p -86.75 -4.43 59.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.886 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.81 -52.11 0.1 Allowed Pre-proline 0 N--CA 1.47 0.542 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.802 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 42.6 Cg_exo -54.09 -50.37 13.83 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.802 1.668 . . . . 0.0 112.223 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.26 -42.6 96.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -63.46 -40.24 96.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -61.67 -41.61 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.889 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.84 -45.9 95.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 109.989 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -43.42 97.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.893 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.71 -65.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.5 mt -62.47 -41.88 99.09 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.3 -28.11 1.52 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.56 -15.92 22.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.484 0.183 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.82 -44.66 95.56 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.907 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.08 -47.0 84.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.102 0.477 . . . . 0.0 110.02 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.73 -45.12 87.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.844 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.49 17.36 58.64 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.4 70.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.791 0.329 . . . . 0.0 110.976 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 78.07 -9.37 32.7 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 54.3 t -64.36 -46.25 93.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.06 -11.87 54.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' HD22 ' A' ' 16' ' ' LEU . 4.4 m -78.33 -2.79 39.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.485 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mp -107.15 -55.38 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.549 -0.263 . . . . 0.0 111.082 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 44.8 Cg_exo -55.0 -48.08 23.1 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.014 1.809 . . . . 0.0 113.392 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.93 -43.51 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.377 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.8 mp -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.55 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 26.7 t-20 -61.8 -42.35 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.524 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.37 -45.91 91.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.206 0.527 . . . . 0.0 109.931 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.17 -43.52 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.341 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -16.11 43.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.674 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.534 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.94 -40.35 97.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.985 0.422 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.93 -13.99 9.71 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.24 -37.9 89.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.32 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ALA . 88.5 mt -61.71 -38.92 89.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.944 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -57.55 -45.18 85.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.11 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -69.77 -40.14 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.074 0.464 . . . . 0.0 110.29 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 34.67 5.58 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -58.97 -31.08 68.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.531 0.205 . . . . 0.0 110.99 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.81 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' A' ' 12' ' ' SER . 35.5 m -62.54 -40.23 87.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.718 0.294 . . . . 0.0 110.699 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 10' ' ' VAL . . . -77.76 23.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.423 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 13' ' ' LEU . 5.5 m -105.82 33.82 3.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.518 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -163.34 -48.7 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.147 179.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.518 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 31.6 Cg_exo -58.55 -49.7 11.3 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.861 1.707 . . . . 0.0 111.883 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.32 -41.87 93.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.298 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.0 mt -63.52 -40.41 96.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 47.6 t-20 -62.64 -41.41 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.438 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.43 -46.54 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.049 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.17 -43.61 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.806 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.2 -5.85 59.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.52 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.97 -41.42 99.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.5 -34.48 0.54 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -89.5 -9.23 50.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.604 0.24 . . . . 0.0 110.655 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.14 -47.32 85.07 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -64.13 -44.1 93.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 0.0 109.991 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.72 -46.45 88.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.858 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -87.89 21.64 22.25 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 37.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.639 0.256 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . -159.1 -54.9 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.41 -46.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.641 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.7 -14.14 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.4 t -68.71 -10.66 57.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.678 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.5 mp -90.51 -65.88 0.15 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 28.8 Cg_endo -59.74 -42.91 42.05 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.51 2.14 . . . . 0.0 113.019 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.54 -43.89 97.69 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.485 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -65.21 -39.42 92.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.151 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.71 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.4 -45.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.94 -43.41 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.798 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.51 -53.05 62.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.517 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.032 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.0 -42.28 99.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.92 -25.2 1.93 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.86 4.8 53.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 0.0 110.163 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.1 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.912 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -59.28 -46.59 88.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.674 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -64.21 -42.83 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.696 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.76 23.59 25.08 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.56 54.75 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.41 15.03 81.88 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.5 -45.48 92.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.8 -23.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.26 -0.576 . . . . 0.0 112.128 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -69.8 -14.69 62.89 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -110.71 -52.55 0.05 OUTLIER Pre-proline 0 N--CA 1.472 0.649 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 56.7 Cg_exo -51.25 -44.81 40.75 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.791 1.66 . . . . 0.0 112.18 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.84 -41.97 97.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.911 0.386 . . . . 0.0 110.325 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -63.46 -41.66 98.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.42 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -63.15 -41.45 99.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.44 -45.31 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.11 -43.36 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.813 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.92 59.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.619 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.91 -39.83 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.99 -6.92 17.25 Favored Glycine 0 N--CA 1.466 0.668 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -89.85 -3.95 57.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.745 0.307 . . . . 0.0 110.226 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.9 mm? -62.5 -41.9 99.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -61.35 -45.66 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.368 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -66.38 -42.43 87.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.948 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.62 25.48 20.88 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.28 76.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.622 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 76.02 24.12 69.99 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.305 178.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.99 -48.01 83.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.37 -26.86 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.836 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' HD13 ' A' ' 16' ' ' LEU . 38.0 m -60.59 -28.07 68.21 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.668 -0.413 . . . . 0.0 109.902 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.2 -53.92 0.12 Allowed Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.39 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -49.67 -41.18 46.27 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.809 1.673 . . . . 0.0 112.946 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.95 -42.57 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.673 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.4 mp -63.19 -39.54 94.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.058 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 23.7 t-20 -61.36 -39.59 91.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.66 -47.29 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.265 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -65.14 -43.73 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.32 -20.66 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.245 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.536 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.411 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.86 -38.8 92.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.028 0.442 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.94 -5.04 49.92 Favored Glycine 0 C--N 1.334 0.417 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.47 -5.39 46.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.256 -0.472 . . . . 0.0 110.289 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.35 -41.28 98.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.047 0.451 . . . . 0.0 109.818 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -78.34 -3.66 44.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -59.49 -45.39 91.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.127 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.78 32.94 0.24 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -12.37 60.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.694 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.04 32.25 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 67.2 t -65.44 -43.1 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 83.87 -9.85 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.614 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.3 t -102.23 20.73 16.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.076 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -162.0 -47.89 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.239 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 33.3 Cg_exo -57.84 -50.27 10.82 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.716 1.61 . . . . 0.0 112.19 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.11 -41.79 94.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.62 -39.89 95.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.744 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 65.4 t30 -61.74 -41.68 97.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.26 -46.65 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.56 -43.44 96.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.85 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.17 -17.18 55.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.511 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.04 -41.86 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -11.8 3.08 Favored Glycine 0 N--CA 1.464 0.532 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' ALA . 87.0 mt -86.62 -4.88 59.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.19 -42.98 99.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 7' ' ' GLY . 11.4 t -61.59 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.681 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -72.03 13.03 0.33 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 81.83 25.86 51.58 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . 58.44 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -159.34 12.68 0.2 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 11' ' ' ALA . 9.1 m -72.1 -44.51 65.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.312 . . . . 0.0 111.414 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' N ' HG23 ' A' ' 10' ' ' VAL . . . -86.53 5.81 33.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.196 0.522 . . . . 0.0 109.997 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m -95.66 29.7 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.674 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -156.48 -52.58 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.255 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 32.4 Cg_exo -56.67 -53.08 5.61 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.655 1.57 . . . . 0.0 112.236 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.64 -42.62 95.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.288 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.8 -40.72 97.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.167 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 91.6 m-20 -61.27 -41.19 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.515 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.0 -46.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.997 0.427 . . . . 0.0 109.911 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.78 -43.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.882 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.07 -2.43 51.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.504 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.27 -41.63 98.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.857 0.361 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.78 -34.37 0.63 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.0 -40.65 98.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.413 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 8' ' ' ALA . 56.8 mt -61.96 -40.2 94.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.214 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -60.39 -45.14 94.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -68.43 -38.81 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.371 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -93.03 12.27 70.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -55.56 81.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.582 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . 88.32 -9.96 73.25 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 10' ' ' VAL . 60.1 t 58.81 -5.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.279 -0.461 . . . . 0.0 111.286 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -90.83 -1.05 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.953 0.406 . . . . 0.0 110.043 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.5 p -85.83 -7.5 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.466 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -106.08 -51.23 0.1 Allowed Pre-proline 0 N--CA 1.47 0.561 0 N-CA-C 110.698 -0.112 . . . . 0.0 110.698 -179.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 39.8 Cg_exo -55.05 -49.38 16.75 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 121.893 1.729 . . . . 0.0 112.465 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.34 -42.56 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.4 mm? -63.8 -40.41 96.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.62 -41.8 97.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.472 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.63 -46.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.006 0.432 . . . . 0.0 109.931 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.84 -43.61 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.067 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.47 -68.89 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.64 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.981 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.16 -41.85 99.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.35 -17.0 1.01 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -88.05 -1.26 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.739 0.304 . . . . 0.0 110.327 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.179 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 6.12 16.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.736 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.79 -46.8 88.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -127.77 -10.71 3.47 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.61 16.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 146.18 -28.94 1.67 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 12' ' ' SER . 94.1 t -64.53 -42.9 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 0.0 110.435 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.32 -5.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' LEU . 45.7 p -84.07 18.57 2.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.639 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -140.54 -53.39 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.346 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 45.4 Cg_exo -55.26 -49.02 17.72 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.636 1.557 . . . . 0.0 112.304 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -43.38 94.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 12' ' ' SER . 38.5 mt -64.77 -38.47 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.924 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 99.2 m-20 -61.33 -41.08 96.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.584 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.45 -46.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 mm -64.11 -43.49 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.759 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.33 -15.68 54.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.587 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.55 -40.94 98.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.268 0.355 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.49 -34.85 90.32 Favored Glycine 0 CA--C 1.515 0.054 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.1 mt -65.18 -34.87 79.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.92 -40.16 96.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.342 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -76.84 -3.71 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.636 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.68 -46.76 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.55 60.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.5 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' CA ' ' OG ' ' A' ' 12' ' ' SER . . . 178.84 27.93 0.05 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 11' ' ' ALA . 34.8 m -64.18 -44.56 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' N ' HG23 ' A' ' 10' ' ' VAL . . . -90.5 -1.33 57.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.133 0.492 . . . . 0.0 109.725 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.47 ' OG ' ' CA ' ' A' ' 9' ' ' GLY . 84.9 p -87.46 -4.05 59.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.216 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -107.51 -51.56 0.09 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -178.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 98.6 Cg_endo -82.22 -62.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.037 1.825 . . . . 0.0 113.764 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.303 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.86 -41.36 99.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.869 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 83.9 m-20 -62.74 -41.12 99.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.638 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.2 -46.05 96.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 109.831 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.1 -43.39 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.03 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 4.1 24.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.631 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.53 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.16 -40.95 0.45 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -64.31 -39.71 94.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.66 -0.27 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.37 -44.07 97.32 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.333 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -71.17 -47.44 57.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.032 0.444 . . . . 0.0 110.244 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -63.36 -49.46 73.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.24 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -69.74 -39.87 76.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.24 11.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.036 0.446 . . . . 0.0 110.632 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 98.45 -19.56 53.94 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 13' ' ' LEU . 7.1 t -63.56 -44.19 98.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.677 0.275 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 68.91 38.66 2.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 67.48 21.68 9.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.474 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' H ' HG12 ' A' ' 10' ' ' VAL . 5.8 tp 44.78 70.31 2.03 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -94.79 -71.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 123.512 2.808 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.87 -40.9 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.622 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.2 mp -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.99 0.424 . . . . 0.0 110.133 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 51.9 t-20 -61.91 -40.53 95.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.68 -47.71 91.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.401 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.7 mm -67.39 -43.44 87.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.048 0.451 . . . . 0.0 109.852 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -66.6 0.67 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.998 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 120.237 -1.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.27 -41.78 99.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 154.53 55.83 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.5 mt 42.33 19.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.864 0.364 . . . . 0.0 110.591 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLY . 56.0 tp -62.83 -43.22 99.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m -60.79 -45.08 95.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.798 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -68.12 -41.39 81.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 26.18 19.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.44 75.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.025 0.44 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.7 -16.3 0.02 OUTLIER Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.42 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 10' ' ' VAL . 6.0 t -60.38 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.782 0.291 . . . . 0.0 110.983 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.76 -11.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 t -67.18 -17.57 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.586 0.588 . . . . 0.0 112.586 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.79 -52.05 0.11 Allowed Pre-proline 0 N--CA 1.477 0.897 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.52 -43.91 53.53 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.041 1.827 . . . . 0.0 112.536 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.97 -42.66 99.89 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.068 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.03 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 51.2 t-20 -61.86 -40.15 94.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.935 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.22 -47.1 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.593 -0.443 . . . . 0.0 109.884 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 mm -66.15 -43.2 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.023 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.84 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.516 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.05 -41.83 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . 173.51 50.48 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.2 mt 46.98 13.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.218 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 82.6 mt -63.03 -46.06 89.39 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.273 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.334 0.588 . . . . 0.0 109.882 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -62.08 -47.28 85.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.485 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -65.53 -31.85 81.46 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.43 80.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 110.576 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 139.19 -25.09 2.79 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG12 ' H ' ' A' ' 12' ' ' SER . 54.2 t -63.05 -45.83 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 66.95 -21.82 0.11 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.552 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.715 ' H ' HG12 ' A' ' 10' ' ' VAL . 41.8 m -86.38 11.51 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.722 0.296 . . . . 0.0 110.74 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.61 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 1.2 tp -153.27 -44.56 0.01 OUTLIER Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.61 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 39.8 Cg_exo -57.22 -55.41 2.58 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.45 1.434 . . . . 0.0 112.653 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.03 -43.3 92.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.636 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.72 -41.08 96.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.712 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -61.49 -41.94 98.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.38 -45.46 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.863 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.67 -43.76 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.977 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.21 -6.38 59.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.514 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.034 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp -89.18 -5.5 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -7.44 73.7 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -86.36 -11.89 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.963 0.411 . . . . 0.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.87 -41.33 99.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.18 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -62.91 -16.98 61.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.404 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -85.02 10.42 11.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.548 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 79.35 34.02 33.71 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.55 -4.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.232 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 174.27 74.99 0.05 OUTLIER Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.4 -43.95 98.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.858 0.361 . . . . 0.0 110.186 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.76 -12.39 61.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.411 ' O ' HD13 ' A' ' 16' ' ' LEU . 7.4 t -64.77 -10.59 28.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.439 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.9 mp -92.05 -65.92 0.13 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 25.9 Cg_endo -59.27 -36.09 95.66 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.47 2.113 . . . . 0.0 113.424 -178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.24 -43.87 97.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.177 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.6 mp -66.42 -39.05 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.335 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.526 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 93.2 m-20 -61.26 -41.76 97.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.395 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.92 -46.77 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 109.999 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mm -64.68 -43.65 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.861 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.33 51.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.453 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.526 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.51 -39.21 92.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.76 28.75 Favored Glycine 0 N--CA 1.462 0.43 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.4 mt -100.0 -3.1 32.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.03 -41.51 99.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.877 0.37 . . . . 0.0 110.017 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -80.31 -1.44 40.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.84 -46.7 87.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.424 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.65 32.74 0.02 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.14 21.04 3.36 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.665 0.269 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.5 -14.92 0.55 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.49 -45.43 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.07 10.61 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.265 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -115.39 43.59 2.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.758 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 11.4 tp -150.31 -63.91 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.901 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 37.5 Cg_endo -62.24 -51.48 3.5 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.201 1.934 . . . . 0.0 112.492 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.5 -43.2 99.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.679 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -39.16 93.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.116 0.484 . . . . 0.0 109.879 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 HD21 HD11 ' A' ' 13' ' ' LEU . 89.4 m-20 -60.37 -39.81 88.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.525 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.3 -47.16 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.013 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mm -67.5 -42.89 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.142 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.84 -4.66 55.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.792 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -88.61 -8.32 54.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.28 -26.29 0.2 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.95 -13.38 53.53 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.701 -0.293 . . . . 0.0 111.326 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.88 -46.62 88.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.132 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -63.81 -43.69 95.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 109.795 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -62.34 -41.38 98.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.543 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -60.26 -34.53 84.95 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.97 3.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 85.79 22.58 49.3 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.547 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 74.7 t -63.49 -21.97 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 83.26 -15.32 0.65 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.293 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -85.74 -10.95 54.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.252 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.546 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -118.07 -50.16 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.836 -179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 47.0 Cg_exo -55.0 -45.91 37.3 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.94 1.76 . . . . 0.0 112.649 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.54 -42.39 98.41 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.673 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.8 mp -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.153 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 28.9 t-20 -62.05 -42.27 99.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.52 -46.97 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.357 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mm -65.11 -43.43 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.915 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.27 -33.8 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.87 -41.64 99.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.731 0.301 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . -146.27 46.17 0.76 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt 43.97 18.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.665 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 2' ' ' GLY . 82.2 mt -62.85 -44.02 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -62.75 -46.02 89.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -69.82 -41.32 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -65.16 -37.44 94.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.77 19.21 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.942 0.401 . . . . 0.0 110.32 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . 136.72 76.33 0.07 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.76 -45.45 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.719 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.42 -19.39 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.217 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' HD23 ' A' ' 16' ' ' LEU . 22.3 t -66.61 -7.85 23.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.298 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 3.8 mm? -90.54 -65.18 0.17 Allowed Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.392 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 27.9 Cg_endo -59.3 -39.67 75.53 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.368 2.045 . . . . 0.0 113.117 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.1 -43.32 98.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.955 0.407 . . . . 0.0 110.326 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 12' ' ' SER . 3.0 mm? -64.85 -38.48 91.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.299 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -60.66 -40.6 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.48 -46.01 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.7 mm -63.85 -43.53 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.524 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.45 -23.56 60.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.487 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.7 -41.14 98.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.92 -37.52 0.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.8 mt -99.56 -17.83 17.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.73 -41.8 97.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -60.08 -46.03 90.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.13 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -67.09 -41.12 86.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.008 0.432 . . . . 0.0 110.493 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 30.13 9.59 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.45 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.555 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.63 -34.2 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.78 -46.38 96.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.355 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 49.95 37.71 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t 66.93 15.14 10.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.765 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 tt 54.02 68.8 2.52 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -95.36 -65.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 123.503 2.802 . . . . 0.0 112.713 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.05 -41.33 99.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.83 -39.46 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.321 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.1 t-20 -59.68 -40.84 89.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.714 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.73 -47.5 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.1 mm -66.89 -43.47 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.027 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.46 34.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.631 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.95 -42.66 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.215 0.322 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.01 -11.92 1.18 Allowed Glycine 0 N--CA 1.466 0.681 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.84 -22.99 63.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.72 0.295 . . . . 0.0 111.135 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.47 -41.24 98.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.244 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -78.61 -2.54 39.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.919 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -59.46 -46.4 88.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.319 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.79 53.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.539 0.209 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.42 -28.6 1.07 Allowed Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t 49.6 21.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.431 . . . . 0.0 110.01 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.97 1.69 17.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.513 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.505 ' O ' HD13 ' A' ' 16' ' ' LEU . 73.0 m -77.3 -8.09 57.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -110.92 -52.25 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 121.436 -0.105 . . . . 0.0 111.139 -179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 60.5 Cg_exo -50.89 -44.68 40.25 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.056 1.838 . . . . 0.0 112.649 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.12 -43.2 99.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.931 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.1 mp -64.15 -39.6 94.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.906 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 12.6 m120 -61.75 -41.38 97.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.36 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.21 -46.67 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.868 0.366 . . . . 0.0 110.164 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.77 -43.66 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.212 0.53 . . . . 0.0 109.821 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.75 -28.26 58.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.227 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 171.87 70.86 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.6 mt 53.42 8.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 110.05 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' GLY . 57.9 tp -62.76 -39.05 92.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.647 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 67.1 m -54.55 -45.24 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.62 -179.288 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -65.02 -42.1 94.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.011 0.434 . . . . 0.0 110.002 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.77 2.94 38.19 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 5' ' ' SER . . . -70.68 -7.45 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.458 0.17 . . . . 0.0 111.152 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.79 -35.57 0.09 OUTLIER Glycine 0 N--CA 1.463 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' SER . 85.3 t -61.61 -49.14 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.797 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 33.3 26.44 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.427 179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 10' ' ' VAL . 8.6 t -124.01 37.85 4.32 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.317 -179.371 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -177.63 -50.0 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.336 179.887 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 13' ' ' LEU . 42.2 Cg_exo -55.34 -49.36 16.47 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.992 1.795 . . . . 0.0 112.25 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.63 -43.16 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.586 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.5 mm? -64.34 -39.65 94.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.05 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 HD21 HD22 ' A' ' 13' ' ' LEU . 98.9 m-20 -62.46 -41.46 98.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 -179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -64.49 -46.01 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.81 -43.37 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.205 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.2 -4.47 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.1 -41.95 99.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 4' ' ' LEU . . . 171.38 65.93 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt 43.93 18.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.331 . . . . 0.0 110.435 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.67 -43.96 97.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.657 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -80.05 -2.55 44.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -59.78 -47.08 87.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.435 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.99 42.0 0.03 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.72 92.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.72 48.56 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.76 -45.38 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.56 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.377 -179.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.8 p -64.24 -14.1 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.746 0.308 . . . . 0.0 111.096 -179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 4.0 mm? -87.62 -64.23 0.21 Allowed Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.053 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 24.8 Cg_endo -58.94 -39.94 76.22 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.332 2.022 . . . . 0.0 113.47 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.9 mt -62.22 -44.13 97.26 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.599 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.18 -38.9 86.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.336 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 92.6 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -46.33 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -43.75 97.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.68 -8.67 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.87 -41.76 99.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.682 0.277 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.41 79.33 0.05 OUTLIER Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt 43.76 28.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.482 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.37 -39.71 95.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -59.08 -44.61 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -63.36 -42.64 98.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.75 20.67 37.44 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.15 -8.87 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.449 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.38 58.97 0.43 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' A' ' 12' ' ' SER . 75.4 t -63.32 -25.27 38.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.47 2.95 0.77 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.0 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.501 ' O ' HD12 ' A' ' 16' ' ' LEU . 70.1 m -90.5 26.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.124 -179.236 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -145.08 -48.87 0.02 OUTLIER Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.727 179.86 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.595 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 33.1 Cg_exo -59.43 -52.2 5.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.929 1.753 . . . . 0.0 112.669 -178.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.55 -42.38 95.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.732 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 12' ' ' SER . 37.0 mt -64.04 -39.16 93.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.61 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.631 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.94 -47.7 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.224 179.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -64.7 -43.45 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.949 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.07 -59.5 2.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.519 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.88 -0.14 57.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.02 -31.18 0.02 OUTLIER Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.12 -37.43 82.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.13 -40.58 94.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -58.98 -45.53 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.094 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -66.87 -40.19 87.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.39 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.71 23.06 14.25 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.55 -39.12 72.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.509 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.39 52.51 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 84.0 t -82.33 -74.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.849 0.357 . . . . 0.0 110.399 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.37 -11.41 22.5 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.366 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.2 t -79.44 -4.77 52.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.51 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -113.48 -52.32 0.05 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 10' ' ' VAL . 43.7 Cg_exo -53.64 -46.29 34.79 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.698 1.599 . . . . 0.0 112.473 -178.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.14 -44.96 90.56 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.61 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.3 mp -64.28 -37.74 88.56 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.116 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 19.0 m120 -60.33 -40.59 91.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.744 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.32 -47.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mm -65.2 -43.91 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.193 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.95 -26.92 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.4 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.189 -1.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.15 -3.42 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.305 0.378 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . 163.66 34.41 0.02 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt 56.15 1.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.539 0.209 . . . . 0.0 111.066 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 2' ' ' GLY . 83.3 mt -63.31 -43.71 97.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.976 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -78.05 -24.61 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.335 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.49 -46.85 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -64.39 1.22 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.83 25.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.718 0.294 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.51 82.33 0.82 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.16 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 110.636 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -8.37 23.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.52 -179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 16' ' ' LEU . 5.2 m -65.87 -8.57 22.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 6.0 mp -93.36 -66.08 0.11 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.819 -179.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 13' ' ' LEU . 32.7 Cg_endo -61.13 -33.51 90.94 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.364 2.043 . . . . 0.0 113.505 -178.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.88 -42.09 99.64 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.614 -178.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 16' ' ' LEU . 8.8 mp -65.84 -39.87 91.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.665 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 45.6 t-20 -62.46 -41.22 98.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.076 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.79 -44.88 98.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.11 -43.84 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.385 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.65 -23.85 53.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.381 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.0 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.96 -34.48 61.96 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.89 -35.87 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.465 -179.144 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -62.09 -42.22 98.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -79.57 1.96 24.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.064 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -59.36 -46.77 87.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.37 -179.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.3 59.39 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.75 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.51 70.9 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' O ' ' CD ' ' A' ' 14' ' ' PRO . 73.3 t -93.37 -77.6 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.06 -4.79 42.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.503 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.1 p -88.03 -6.42 57.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.7 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -109.8 -46.51 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.667 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.749 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 92.0 Cg_endo -91.24 -57.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.451 2.101 . . . . 0.0 112.898 -178.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.64 -42.24 99.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.011 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.04 -39.81 93.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -61.25 -40.48 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 -179.781 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.84 -47.84 90.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.368 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.0 mm -66.9 -43.21 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.19 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.79 -65.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.016 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.88 -43.14 99.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.99 57.9 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.38 -37.07 85.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.549 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' ALA . 57.2 tp -60.06 -38.36 82.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.694 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -58.67 -44.84 90.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.844 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -64.43 -42.1 96.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.0 0.429 . . . . 0.0 110.097 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.63 39.08 3.01 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -57.99 -36.81 73.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.562 -0.319 . . . . 0.0 110.756 -179.385 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.567 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -134.94 -148.72 5.74 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t 59.85 -4.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.564 0.221 . . . . 0.0 110.996 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 48.55 32.87 3.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.038 179.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 p 70.57 16.08 7.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp 55.33 66.15 4.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.27 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -93.97 -73.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 123.001 2.467 . . . . 0.0 111.971 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.88 -38.62 91.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.315 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.81 -41.11 95.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.172 -179.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.45 -42.64 99.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.12 -45.11 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.465 . . . . 0.0 110.068 179.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.01 -43.35 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.881 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -36.97 74.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.452 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 64.7 mt 38.07 28.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.75 0.309 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . 171.64 -50.97 0.18 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.36 -34.88 79.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.632 -179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.7 -40.33 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -58.6 -22.37 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.726 -179.072 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -81.21 12.56 3.41 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.441 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . 78.67 27.35 57.16 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.604 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -9.34 43.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.281 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -100.33 -57.32 0.9 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.04 -44.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.914 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . -77.82 7.45 5.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.276 -179.153 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 9' ' ' GLY . 60.8 p -113.98 43.05 1.91 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.293 0.568 . . . . 0.0 110.223 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.667 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -144.57 -47.92 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.499 179.488 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 14.4 Cg_exo -70.17 -60.39 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.488 2.125 . . . . 0.0 112.516 -179.388 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.697 -178.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.8 -41.1 99.13 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.431 -179.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -61.68 -42.16 98.54 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.05 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.2 -46.04 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.017 179.347 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.19 -43.31 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.863 179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -50.88 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.463 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.007 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.63 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.759 0.314 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.04 -42.43 94.63 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.58 -40.19 95.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.476 -0.362 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.88 -50.07 73.7 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 109.993 -179.768 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -64.85 -45.27 86.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.185 0.517 . . . . 0.0 110.369 179.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -62.28 -45.44 93.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.78 30.89 9.34 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.25 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -153.98 -92.81 0.09 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 12' ' ' SER . 2.1 t 62.11 -6.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.619 0.247 . . . . 0.0 111.026 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 42.24 18.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' VAL . 48.7 m -122.86 16.9 10.17 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -179.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -148.75 -48.09 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -179.667 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.622 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 23.2 Cg_exo -64.83 -57.8 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.037 1.825 . . . . 0.0 112.201 -179.329 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.87 -41.44 97.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.8 mp -62.27 -40.98 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.582 -179.616 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 51.8 t30 -62.55 -43.31 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -179.601 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.7 -47.71 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.273 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.4 mm -65.23 -43.36 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.048 179.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.77 -16.1 58.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.599 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.123 -1.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.2 mt 46.66 53.57 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.62 -71.87 0.3 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.41 -39.57 94.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.269 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.9 tp -61.51 -48.09 82.61 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -66.41 -45.22 80.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 110.29 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -63.43 -44.84 93.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.867 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.73 4.29 65.67 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.25 91.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.361 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -51.29 0.85 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.55 -44.9 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.471 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 28.0 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.31 23.53 5.03 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.354 179.047 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt 50.57 67.97 3.85 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.132 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -93.99 -80.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 123.078 2.519 . . . . 0.0 112.373 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.6 mt -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.779 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.28 -41.93 97.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 -179.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -61.63 -41.09 97.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.383 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.9 t -63.73 -45.98 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.926 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.88 -43.51 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.815 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.65 -59.76 3.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.421 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.7 mt 39.4 28.79 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.862 0.363 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . -163.68 -34.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.77 -9.85 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.331 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -63.3 -42.01 99.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -60.68 -45.92 92.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -65.0 -43.07 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 0.0 110.091 179.415 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.12 31.19 8.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.09 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.628 0.252 . . . . 0.0 110.648 -179.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.51 31.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -89.57 -78.28 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.0 -8.38 22.42 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.049 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.532 ' O ' HD12 ' A' ' 16' ' ' LEU . 57.9 m -85.86 9.57 16.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.358 -179.218 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -129.75 -53.27 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.25 -179.913 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 42.8 Cg_exo -56.14 -48.81 17.65 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 121.518 1.478 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.07 -43.67 94.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.941 0.401 . . . . 0.0 110.488 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 12' ' ' SER . 16.0 mt -66.73 -37.09 83.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.233 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 99.1 m-20 -61.17 -41.75 97.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.656 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -44.72 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.73 -43.49 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.668 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.83 -4.2 59.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.84 -3.95 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.11 -24.09 31.49 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.4 -3.56 56.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 110.424 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.47 -44.78 95.56 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.139 179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.9 t -73.3 -32.45 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.118 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 77.5 t80 -57.63 0.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 79.76 29.89 45.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.01 52.29 2.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.859 0.362 . . . . 0.0 110.603 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.34 40.13 0.02 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 11' ' ' ALA . 3.0 m -145.63 -50.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.717 0.294 . . . . 0.0 110.6 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' H ' HG23 ' A' ' 10' ' ' VAL . . . -97.9 -9.04 26.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.916 0.388 . . . . 0.0 110.221 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 16' ' ' LEU . 4.8 m -82.35 -7.24 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.927 -179.38 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 6.9 mp -94.51 -66.32 0.1 Allowed Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.305 -179.334 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 25.2 Cg_endo -58.49 -42.5 54.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.347 2.031 . . . . 0.0 113.086 -178.722 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -42.47 99.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.21 -179.561 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 mm? -64.17 -39.54 94.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.82 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -61.49 -40.81 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.539 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.8 t -61.97 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.56 -43.49 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.361 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -23.62 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.099 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -166.07 63.45 0.22 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.6 mt 50.02 9.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.739 0.304 . . . . 0.0 110.573 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 2' ' ' GLY . 54.4 tp -63.26 -44.06 96.22 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.599 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 p -71.75 -19.11 62.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.571 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.34 -45.77 92.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 9' ' ' GLY . . . -63.0 -37.05 94.33 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.8 13.73 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 7' ' ' GLY . . . 153.73 -30.33 0.75 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.862 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.78 -44.83 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.621 0.248 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.96 39.0 28.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t 65.76 11.08 7.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp 60.42 69.6 1.13 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.005 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -93.9 -72.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 123.288 2.659 . . . . 0.0 112.072 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.19 -40.4 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.597 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.69 -40.88 96.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.193 -179.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.4 -41.24 96.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.43 179.841 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.36 -46.16 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 109.935 179.656 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.1 -43.58 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.711 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.62 87.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.47 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.97 -0.14 57.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.613 0.244 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.48 -33.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.474 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.77 -6.41 58.18 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 122.678 -0.307 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.98 -43.17 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.418 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -85.27 -15.54 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.43 -46.3 90.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.72 44.48 0.02 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.909 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.57 25.43 4.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.773 0.32 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.29 -39.36 0.28 Allowed Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 88.5 t -64.84 -43.14 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 178.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 75.38 -63.62 0.4 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.297 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t 179.33 39.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.375 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 6.7 tp 45.59 54.01 13.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.032 -178.716 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 64.0 Cg_endo -94.24 -55.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.989 0 C-N-CA 122.512 2.142 . . . . 0.0 111.488 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' A' ' 14' ' ' PRO . 46.6 mt -63.89 -40.39 96.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.221 179.836 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.9 mm? -62.15 -40.56 96.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.885 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 85.5 m-20 -62.05 -40.47 95.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.41 179.68 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.3 -46.09 97.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -43.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.688 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.4 72.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.488 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.067 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.25 -39.02 93.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.955 0.407 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.83 1.63 56.23 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.77 -11.59 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.857 0.361 . . . . 0.0 110.308 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.33 -40.7 98.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.314 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 7' ' ' GLY . 38.6 t -61.48 -41.14 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.977 -179.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -59.03 -0.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 5' ' ' SER . . . 82.34 35.18 21.2 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.63 82.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.052 0.453 . . . . 0.0 110.022 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.536 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -126.17 -23.52 1.58 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 12' ' ' SER . 3.1 t 63.42 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 120.758 0.313 . . . . 0.0 110.697 179.735 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . 45.43 15.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.957 0.408 . . . . 0.0 110.055 -179.507 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 10' ' ' VAL . 4.5 t -126.43 39.55 3.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.172 -179.705 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -172.2 -46.0 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 179.89 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -64.09 -57.49 0.34 Allowed 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.172 1.915 . . . . 0.0 112.114 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.2 -42.73 96.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.717 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.87 -40.94 99.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.691 -179.658 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -60.99 -39.54 90.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -179.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.47 -47.16 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.135 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.46 -43.52 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.084 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.2 -14.17 60.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.33 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.06 -39.18 93.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.973 0.416 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.34 -0.66 50.26 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -94.12 -3.7 50.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.325 -0.438 . . . . 0.0 110.355 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.6 mm? -63.62 -42.08 98.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -71.88 -4.51 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.732 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -59.27 -47.37 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 -179.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.99 -3.17 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.14 -179.465 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -79.37 72.81 6.0 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.248 0.524 . . . . 0.0 110.672 -179.76 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.19 -24.59 2.22 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.34 -45.07 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.771 0.32 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 44.42 37.29 1.97 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -145.6 29.31 1.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.098 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -169.89 -44.93 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.936 -179.888 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.575 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 11.3 Cg_exo -71.58 -69.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.078 1.852 . . . . 0.0 111.728 -179.469 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -38.66 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.4 -42.31 95.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.306 -179.144 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -62.2 -39.9 94.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.95 -46.27 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.21 -43.29 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.534 179.354 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.43 71.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.064 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.53 -41.2 98.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.308 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -171.35 47.16 0.19 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -179.855 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.2 mt 62.62 -5.05 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.455 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 2' ' ' GLY . 48.7 tp -63.34 -43.68 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.39 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -62.2 -29.9 70.7 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.399 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.71 -41.91 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.967 -179.221 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 34.34 0.12 Allowed Glycine 0 N--CA 1.468 0.828 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -22.96 65.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' C ' ' N ' ' A' ' 11' ' ' ALA . . . -148.11 17.2 1.36 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.666 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 10' ' ' VAL . 46.9 t 53.09 11.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.151 0.501 . . . . 0.0 110.239 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' N ' ' C ' ' A' ' 9' ' ' GLY . . . -80.49 11.09 3.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.18 179.503 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' LEU . 97.0 p -81.31 -8.77 59.8 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.349 -178.509 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.479 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -111.32 -50.34 0.06 OUTLIER Pre-proline 0 N--CA 1.474 0.765 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -179.085 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.479 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 38.2 Cg_exo -54.15 -44.37 49.92 Favored 'Trans proline' 0 N--CA 1.498 1.783 0 C-N-CA 122.106 1.871 . . . . 0.0 112.443 -179.198 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.16 -42.08 99.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.454 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.4 mp -63.3 -39.92 95.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.068 179.654 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -61.88 -41.47 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.255 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.1 -45.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.87 -43.28 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.11 179.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.86 -57.39 3.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.527 -179.581 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.9 -42.04 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.53 -31.72 2.5 Favored Glycine 0 N--CA 1.465 0.632 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.52 -40.34 96.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.204 . . . . 0.0 111.306 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.73 -51.26 69.12 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.591 -179.521 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -66.0 -45.19 82.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.199 0.523 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -62.27 -44.52 96.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.377 -179.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.87 4.56 69.52 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.521 -0.631 . . . . 0.0 111.521 -179.286 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.6 38.68 1.26 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 122.736 -0.273 . . . . 0.0 111.535 -179.404 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.78 -39.36 0.02 OUTLIER Glycine 0 C--N 1.332 0.32 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.431 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -97.43 -43.01 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.855 179.191 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.71 -77.26 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.252 0.548 . . . . 0.0 110.404 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.557 ' N ' ' O ' ' A' ' 10' ' ' VAL . 21.4 t -174.24 32.73 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.263 179.779 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.2 mm? 54.02 49.94 6.39 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.185 -178.78 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 95.3 Cg_endo -87.59 -55.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.048 0 C-N-CA 122.045 1.83 . . . . 0.0 111.5 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.7 mt -64.35 -41.03 96.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 179.729 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -62.13 -39.42 92.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.321 -179.725 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -60.84 -40.78 94.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.3 -47.74 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.162 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.18 -43.48 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.969 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.29 -19.64 64.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.657 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 120.096 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.05 -40.96 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.45 -43.72 0.3 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.69 -8.31 12.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 4' ' ' LEU . 8.2 tt -61.97 -46.66 88.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.237 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 7' ' ' GLY . 29.2 t -119.97 -33.86 3.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.626 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 49.0 t80 54.29 7.09 0.12 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.061 -179.331 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 5' ' ' SER . . . -160.35 18.47 0.22 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 5' ' ' SER . . . -64.58 -11.54 35.77 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.627 0.251 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.99 -25.63 0.08 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.7 -45.33 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.627 0.251 . . . . 0.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.93 -5.6 17.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.976 -179.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -81.21 -5.81 58.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.682 -179.344 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.79 -52.25 0.11 Allowed Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.292 -179.365 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.62 -49.88 15.97 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.877 1.718 . . . . 0.0 112.328 -179.699 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.27 -42.97 92.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 0.0 110.667 -179.829 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -64.03 -40.5 96.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.83 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.533 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.27 -46.43 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.121 0.486 . . . . 0.0 109.935 179.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.45 -43.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.084 179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.46 -62.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.402 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.21 -39.16 93.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.012 0.434 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.89 0.73 56.23 Favored Glycine 0 C--N 1.333 0.379 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.427 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 94.5 mt -94.45 0.74 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.1 -0.55 . . . . 0.0 110.261 179.728 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.13 -37.75 7.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.1 0.476 . . . . 0.0 110.035 -179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -82.05 -6.73 59.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.561 -179.451 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 7' ' ' GLY . 4.3 p90 -60.31 -47.73 84.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.405 -179.324 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.571 ' N ' ' CG ' ' A' ' 6' ' ' TYR . . . -116.41 19.64 12.87 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 -179.089 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.47 71.01 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.58 -3.05 75.94 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.1 t -65.89 -46.89 87.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.018 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.48 -31.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 111.246 -179.03 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 t -63.73 -12.38 34.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.761 -179.118 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -117.17 -52.36 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.002 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 16.6 Cg_exo -66.35 -63.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 121.908 1.739 . . . . 0.0 112.346 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.03 -40.64 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.534 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.93 -42.65 99.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.223 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 HD21 HD23 ' A' ' 13' ' ' LEU . 85.7 m-20 -62.71 -41.06 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.366 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.75 -45.47 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.009 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.98 -43.28 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.887 179.469 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.86 -42.05 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.645 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.68 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.07 30.09 2.86 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.693 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.4 mt 43.55 27.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.55 -40.71 97.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.493 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.03 2.25 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.09 178.816 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.531 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 81.6 t80 47.65 52.29 12.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.164 -179.796 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . 77.07 19.02 77.92 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.7 6.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.291 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 80.23 27.14 53.38 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.551 179.538 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.89 -45.68 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.442 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.87 58.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.657 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -74.76 -1.2 20.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.692 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 6.4 mp -95.98 -66.73 0.08 OUTLIER Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.384 -179.291 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 32.8 Cg_endo -60.17 -39.9 64.86 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.395 2.064 . . . . 0.0 113.503 -178.841 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.21 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.788 -178.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.7 mp -66.11 -39.18 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.67 179.529 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 27.7 t-20 -61.4 -41.33 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.31 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.64 -45.84 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.982 0.42 . . . . 0.0 109.918 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.76 -43.47 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.446 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.48 -59.36 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.701 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.302 -1.476 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt 38.44 32.53 0.05 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.675 0.274 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.14 -29.54 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.54 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.7 mt -86.0 -5.68 59.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.313 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -40.68 96.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.331 -179.558 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -61.97 -22.03 65.32 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.517 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.432 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.27 57.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.44 1.46 51.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.521 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.06 -10.92 5.49 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.623 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 96.4 t -64.02 -42.76 96.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.457 -0.372 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 10' ' ' VAL . . . 92.32 -14.87 0.17 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.749 0.656 . . . . 0.0 110.143 -179.497 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 -8.78 55.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.652 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 4.5 mp -111.04 -49.05 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.035 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 93.0 Cg_endo -81.81 -62.17 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.773 1.649 . . . . 0.0 113.142 -178.574 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.33 -40.77 98.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.885 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.79 -39.93 93.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.353 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.5 t-20 -61.23 -39.65 91.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 -179.768 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mm -65.64 -43.5 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.94 179.051 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.24 59.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.554 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.24 -28.52 0.63 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.4 mt -88.0 -4.86 58.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.765 0.317 . . . . 0.0 110.47 179.858 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 4' ' ' LEU . 4.7 tt -62.18 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 109.838 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -78.81 -2.08 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -58.76 -48.2 82.04 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.389 -179.296 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.622 ' C ' ' H ' ' A' ' 9' ' ' GLY . . . -105.47 6.39 41.88 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.661 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 63.74 -7.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 109.744 -178.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 7' ' ' GLY . . . 170.47 -48.46 0.2 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.578 HG12 ' H ' ' A' ' 12' ' ' SER . 44.5 t -150.77 -76.49 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 CA-C-N 114.905 -0.647 . . . . 0.0 110.881 179.253 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.8 -9.68 0.1 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.282 -179.453 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.578 ' H ' HG12 ' A' ' 10' ' ' VAL . 96.8 p -90.07 3.09 54.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.513 179.908 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' HD2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -149.17 -51.62 0.02 OUTLIER Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.625 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' H ' ' A' ' 13' ' ' LEU . 50.2 Cg_exo -53.87 -45.13 43.26 Favored 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 121.674 1.583 . . . . 0.0 112.49 -179.026 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.58 -42.3 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.8 mt -63.99 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 64.8 t30 -61.0 -40.89 95.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.417 -179.863 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -46.22 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.07 -43.55 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.463 179.408 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.33 -22.21 55.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.502 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.101 -1.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.1 mt 44.58 26.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' LEU . . . -142.69 36.94 1.58 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.3 mt 47.14 16.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.963 0.411 . . . . 0.0 110.258 -179.454 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' GLY . 79.0 mt -63.02 -41.89 99.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -63.52 -44.83 93.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.729 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.38 -40.86 85.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.113 0.482 . . . . 0.0 110.191 179.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -65.3 -34.19 88.77 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -24.27 58.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.314 -179.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.51 -59.37 0.92 Allowed Glycine 0 N--CA 1.464 0.509 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.809 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.24 -43.89 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.741 -0.23 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 55.65 36.51 27.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 109.967 -179.228 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 65.48 17.63 11.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tp 53.1 69.44 2.32 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -94.86 -73.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 123.264 2.643 . . . . 0.0 112.369 179.88 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.29 -39.89 94.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.481 -179.43 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 16' ' ' LEU . 11.0 mp -61.68 -39.07 90.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.082 -179.922 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 54.3 t-20 -62.33 -42.77 99.66 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.882 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.34 -46.13 94.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.059 179.037 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -43.2 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.656 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.86 -12.22 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.467 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.5 mt -88.28 -1.72 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.97 -23.35 0.17 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.17 -19.81 61.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.757 0.313 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 8' ' ' ALA . 11.7 tp -61.11 -40.42 93.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -55.79 -33.85 64.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 -179.811 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -86.02 0.39 53.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.668 179.888 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.6 14.83 4.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -60.78 -24.93 66.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.767 0.318 . . . . 0.0 110.64 -179.76 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -65.73 0.78 Allowed Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.296 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 12' ' ' SER . 49.7 t -62.24 -45.43 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.83 16.36 0.32 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.348 0.594 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.3 OUTLIER 77.39 30.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.652 -179.85 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mp 43.52 65.43 5.64 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-O 121.497 0.665 . . . . 0.0 110.341 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -90.8 -51.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.996 2.464 . . . . 0.0 111.783 179.659 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.02 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.329 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.2 mm? -61.54 -39.95 92.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.834 -179.501 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -60.16 -40.32 89.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 -179.426 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -46.77 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 179.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.7 mm -64.67 -43.37 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.901 179.655 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -64.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.409 179.757 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.138 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.8 mt 38.44 31.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.8 -35.61 0.04 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.8 mt -88.82 -8.86 53.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.708 0.29 . . . . 0.0 110.717 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.26 -41.34 99.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -59.0 -47.06 86.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.526 -179.345 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.28 41.36 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.02 60.41 1.21 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.832 0.349 . . . . 0.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.18 -49.71 0.26 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.853 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 13' ' ' LEU . 93.6 t -65.44 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.572 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.28 38.45 10.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.482 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m 64.88 16.83 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.292 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' H ' HG12 ' A' ' 10' ' ' VAL . 6.0 tp 55.3 69.33 2.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -94.32 -73.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.368 2.712 . . . . 0.0 112.279 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.44 -39.63 95.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.754 179.935 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.83 -40.56 95.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.887 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -60.76 -41.51 95.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.664 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.52 -46.01 96.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 0.0 109.945 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.1 -43.56 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.68 179.232 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.47 -37.54 83.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.484 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.72 -41.99 99.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.01 -42.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -146.58 17.78 1.31 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.113 179.939 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.1 tt -62.34 -40.41 96.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.979 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -49.46 -37.72 27.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.518 -179.322 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -61.88 -44.79 96.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.52 -33.58 81.8 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.56 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.566 0.222 . . . . 0.0 110.841 -179.463 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.27 92.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 13' ' ' LEU . 66.1 t -71.74 -24.42 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.844 0.354 . . . . 0.0 110.176 179.462 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.58 34.34 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 t 64.03 19.53 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' H ' HG12 ' A' ' 10' ' ' VAL . 5.9 tp 50.93 70.32 2.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -93.64 -73.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 123.259 2.639 . . . . 0.0 112.711 -179.486 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.09 -40.33 97.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.695 -179.486 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.0 mp -61.57 -41.9 98.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.012 -179.806 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 58.5 t-20 -63.2 -42.77 99.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.65 -46.85 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.216 -179.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.87 -43.47 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.967 179.759 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.95 -3.65 58.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.464 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.512 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.495 ' O ' ' N ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.233 0.22 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 0' ' ' ACE . 80.6 mt 35.33 30.12 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 0' ' ' ACE . . . -155.63 -53.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.916 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 7' ' ' GLY . 97.5 mt -84.39 -11.49 56.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 179.762 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.14 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -86.45 -54.07 4.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -63.71 -46.42 85.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.401 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . -88.76 21.61 25.68 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 78.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 137.05 43.5 0.09 OUTLIER Glycine 0 CA--C 1.519 0.294 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.786 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 12' ' ' SER . 16.5 m -59.11 -26.16 32.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.927 -0.637 . . . . 0.0 111.225 -178.573 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 22.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.652 179.762 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 10' ' ' VAL . 88.4 p -86.41 -6.08 59.01 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.926 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.621 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -137.88 -47.62 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.709 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.642 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.621 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 21.9 Cg_exo -63.76 -68.94 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.913 1.742 . . . . 0.0 112.175 -178.623 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.98 -38.29 90.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.11 -41.58 83.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' NH2 . 27.1 t-20 -62.34 -38.57 90.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.735 179.484 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.37 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.404 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.72 -43.38 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.041 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.72 -22.55 58.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.423 -179.744 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' ASN . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.114 -1.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.508 ' C ' ' H ' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt 50.42 8.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 0' ' ' ACE . . . -108.08 -51.26 0.74 Allowed Glycine 0 N--CA 1.466 0.664 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.328 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.51 -32.41 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.271 179.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.6 mm? -61.23 -39.63 91.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.601 -179.401 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -56.95 -44.78 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.323 -179.608 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.71 -40.79 84.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.465 179.32 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.53 15.67 61.85 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -59.17 -27.97 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.773 -179.8 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 11' ' ' ALA . . . -158.1 -128.51 1.02 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.913 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 t 64.49 -9.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.982 -179.605 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . -164.73 -40.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.077 179.53 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -82.82 6.46 18.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -136.13 -50.14 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.235 -179.638 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -68.51 -65.89 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 121.915 1.743 . . . . 0.0 111.94 -179.45 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.81 -39.43 90.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.67 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.25 -41.59 97.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.656 -179.266 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.83 -40.94 97.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.48 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -63.1 -46.08 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.047 179.706 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.18 -43.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.775 179.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -33.46 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.554 179.871 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.2 -42.33 99.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.588 ' C ' ' H ' ' A' ' 4' ' ' LEU . . . -151.95 38.9 0.79 Allowed Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 56.86 -3.45 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.987 0.422 . . . . 0.0 110.609 179.762 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 2' ' ' GLY . 51.2 tp -61.67 -45.64 93.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 110.237 179.381 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -68.14 -35.7 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.31 -43.16 98.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.567 179.471 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 1.83 64.28 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.897 -179.309 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.33 -8.22 37.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.96 0.41 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.75 59.7 0.39 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -179.738 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' A' ' 12' ' ' SER . 75.0 t -61.89 -44.52 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -179.825 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.79 -7.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.733 179.918 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 10' ' ' VAL . 8.1 t -74.99 -8.08 55.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.221 -179.241 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' H ' ' CD ' ' A' ' 14' ' ' PRO . 1.7 mp -111.9 -51.36 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.556 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' CD ' ' H ' ' A' ' 13' ' ' LEU . 46.6 Cg_exo -53.57 -46.8 31.09 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.893 1.729 . . . . 0.0 112.222 -179.431 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.57 -42.44 95.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.248 179.742 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.1 mm? -63.47 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.315 179.832 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.71 -40.23 87.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.92 -46.44 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.3 mm -63.56 -44.02 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.892 179.204 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.66 25.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.336 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.019 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_