data_2fxz_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 2fxz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.29 -29.0 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.93 -2.0 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.626 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.92 -34.56 10.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.92 -30.06 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.17 -29.51 70.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -116.96 -66.08 1.12 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.287 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.1 -50.41 28.04 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.146 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -79.81 -30.26 40.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.112 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.37 -31.05 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.62 -1.91 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.584 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.94 -34.4 10.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.074 0.464 . . . . 0.0 110.091 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.03 -29.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.55 -33.05 74.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.076 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -110.31 -66.1 1.1 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.75 -54.6 13.34 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.553 -0.749 . . . . 0.0 113.137 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.0 tt -83.95 -30.96 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.117 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -31.06 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.493 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.605 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -98.29 -34.24 10.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.439 . . . . 0.0 110.12 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.2 t -71.52 -29.74 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.4 -26.46 68.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -126.81 -66.92 0.88 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 111.304 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.51 -41.83 18.5 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.228 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.4 -30.92 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.996 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.095 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 m120 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.836 0.35 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.85 -30.92 70.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.9 43.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.05 -34.44 10.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.09 0.471 . . . . 0.0 110.093 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.98 -29.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.06 -31.25 72.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.025 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -112.16 -66.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.133 0.492 . . . . 0.0 111.242 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.18 -53.57 18.71 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.159 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tt -82.25 -33.57 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.128 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.82 72.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.96 -2.16 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.578 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.83 -34.18 10.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 110.106 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.14 -29.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.37 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.031 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -106.9 -66.81 0.99 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 111.266 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.25 -55.89 11.69 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.029 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.1 tt -79.96 -31.48 39.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.093 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.786 0.327 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.67 -31.1 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.63 -1.91 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.525 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.47 10.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.441 . . . . 0.0 110.1 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.0 -29.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.355 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -62.38 -29.79 70.73 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.065 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.79 -65.98 1.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.88 -50.56 26.4 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.149 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tt -82.28 -31.0 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.145 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -92.38 -29.03 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.03 -1.91 41.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.613 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -98.23 -34.18 10.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.421 . . . . 0.0 110.128 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.59 -29.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.321 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.58 -26.66 68.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.219 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -127.21 -66.78 0.87 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.149 0.499 . . . . 0.0 111.313 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.16 -41.42 15.26 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.279 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tp -97.29 -31.0 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.98 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.089 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.96 -31.09 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.99 44.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.569 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.24 -34.21 10.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.126 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -71.79 -28.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.388 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -64.06 -30.84 71.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.061 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.03 -66.54 0.98 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.48 -29.15 5.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.238 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.8 tp -113.99 -32.5 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 111.082 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.145 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.87 -1.6 44.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.566 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.37 -33.64 10.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.199 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.02 -30.15 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.261 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -61.8 -26.19 67.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.157 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -126.82 -66.71 0.89 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.31 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -42.16 18.46 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.472 -0.786 . . . . 0.0 113.291 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.9 tp -96.44 -30.91 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.004 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.095 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.805 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -90.59 -28.89 18.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.74 -2.2 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.613 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.84 -34.25 10.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.433 . . . . 0.0 110.15 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.61 -29.57 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.344 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.502 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.07 -30.89 71.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -114.97 -66.12 1.12 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.109 0.48 . . . . 0.0 111.271 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.95 -34.36 22.96 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.135 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.3 tt -105.49 -30.72 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.132 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.343 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.04 -30.9 70.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.51 -1.95 43.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.43 10.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.028 0.442 . . . . 0.0 110.13 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.6 t -71.0 -29.76 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.297 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.63 -30.23 71.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.4 -66.09 1.12 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.43 25.48 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.105 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.7 tt -80.23 -31.11 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.137 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.24 -31.1 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.54 -1.99 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.551 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.46 10.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.95 -29.83 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -62.63 -30.09 71.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.064 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -115.55 -66.14 1.12 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.104 0.478 . . . . 0.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.22 26.13 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.176 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 tt -80.55 -31.03 37.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.068 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 -31.01 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.601 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.31 -34.2 10.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.122 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.3 t -71.56 -29.7 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.306 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.37 -26.48 68.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.231 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -126.8 -66.92 0.88 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 111.335 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -41.95 18.13 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.233 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.26 -31.02 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.104 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.54 -31.2 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.97 -1.57 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.52 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.13 -33.94 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.155 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.48 -30.47 39.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.208 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.57 -29.98 70.37 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -115.23 -65.78 1.15 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 111.258 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.73 -52.11 21.46 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.187 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.1 tt -79.98 -30.98 39.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.086 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.48 -31.19 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.68 -1.91 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.577 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.21 -33.52 11.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.001 0.429 . . . . 0.0 110.205 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 t -72.43 -29.91 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.266 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.503 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.36 -29.15 69.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -119.75 -65.71 1.13 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.189 0.518 . . . . 0.0 111.273 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.79 -25.66 9.71 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.498 -0.774 . . . . 0.0 113.206 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tt -113.98 -34.07 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.118 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.156 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.3 mtp -161.02 157.96 27.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.93 -31.16 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.24 -31.22 69.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.29 -29.0 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.93 -2.0 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.626 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.92 -34.56 10.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.92 -30.06 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.17 -29.51 70.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -116.96 -66.08 1.12 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.287 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.1 -50.41 28.04 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.146 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tt -79.81 -30.26 40.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.112 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 156.27 30.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.87 -32.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.7 -32.92 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.37 -31.05 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.62 -1.91 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.584 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.94 -34.4 10.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.074 0.464 . . . . 0.0 110.091 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.03 -29.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.55 -33.05 74.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.076 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -110.31 -66.1 1.1 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.75 -54.6 13.34 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.553 -0.749 . . . . 0.0 113.137 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.0 tt -83.95 -30.96 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.117 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.909 0.385 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.4 mtp -168.72 -179.42 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.55 -32.27 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -66.15 -33.03 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -31.06 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.493 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.605 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -98.29 -34.24 10.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.439 . . . . 0.0 110.12 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.2 t -71.52 -29.74 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.4 -26.46 68.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -126.81 -66.92 0.88 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 111.304 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.51 -41.83 18.5 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.228 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.4 -30.92 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.996 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.095 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 mtp -168.26 -176.94 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.52 -32.35 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.98 -33.05 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.85 -30.92 70.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.9 43.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.05 -34.44 10.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.09 0.471 . . . . 0.0 110.093 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.98 -29.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.06 -31.25 72.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.025 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -112.16 -66.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.133 0.492 . . . . 0.0 111.242 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.18 -53.57 18.71 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.159 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tt -82.25 -33.57 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.128 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.88 0.372 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.4 mmm -165.91 138.91 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.04 -32.51 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.82 72.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.96 -2.16 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.578 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.83 -34.18 10.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 110.106 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.14 -29.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.37 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.031 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -106.9 -66.81 0.99 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 111.266 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.25 -55.89 11.69 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.029 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.1 tt -79.96 -31.48 39.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.093 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.35 160.5 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.81 -32.36 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -69.68 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.67 -31.1 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.63 -1.91 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.525 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.47 10.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.441 . . . . 0.0 110.1 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.0 -29.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.355 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -62.38 -29.79 70.73 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.065 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.79 -65.98 1.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.88 -50.56 26.4 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.149 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.7 tt -82.28 -31.0 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.014 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.145 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.9 mtp -100.28 179.72 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.13 -31.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -59.95 -31.19 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -92.38 -29.03 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.03 -1.91 41.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.613 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -98.23 -34.18 10.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.421 . . . . 0.0 110.128 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.59 -29.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.321 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.58 -26.66 68.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.219 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -127.21 -66.78 0.87 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.149 0.499 . . . . 0.0 111.313 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.16 -41.42 15.26 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.279 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 tp -97.29 -31.0 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.98 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.089 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.0 mtp -168.71 -176.92 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.77 -32.29 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -68.37 -32.9 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.96 -31.09 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.99 44.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.569 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.24 -34.21 10.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.126 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -71.79 -28.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.388 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -64.06 -30.84 71.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.061 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.03 -66.54 0.98 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.48 -29.15 5.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.238 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.8 tp -113.99 -32.5 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 111.082 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.145 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.782 0.325 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 mtp -157.33 134.16 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.81 -32.03 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -76.17 -31.62 58.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.87 -1.6 44.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.566 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.37 -33.64 10.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.199 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.02 -30.15 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.261 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -61.8 -26.19 67.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.157 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -126.82 -66.71 0.89 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.31 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -42.16 18.46 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.472 -0.786 . . . . 0.0 113.291 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.9 tp -96.44 -30.91 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.004 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.095 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.82 -178.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.68 -32.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.48 -31.34 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -90.59 -28.89 18.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.74 -2.2 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.613 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.84 -34.25 10.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.433 . . . . 0.0 110.15 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.61 -29.57 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.344 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.502 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.07 -30.89 71.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -114.97 -66.12 1.12 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.109 0.48 . . . . 0.0 111.271 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.95 -34.36 22.96 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.135 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.3 tt -105.49 -30.72 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.132 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.931 0.396 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -175.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.5 t -78.15 -32.32 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.44 -33.06 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.04 -30.9 70.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.51 -1.95 43.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.43 10.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.028 0.442 . . . . 0.0 110.13 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.6 t -71.0 -29.76 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.297 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.63 -30.23 71.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.4 -66.09 1.12 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.43 25.48 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.105 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.7 tt -80.23 -31.11 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.137 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.4 mtp -136.71 -177.25 4.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.21 -32.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.0 -32.96 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.24 -31.1 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.54 -1.99 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.551 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.46 10.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.95 -29.83 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -62.63 -30.09 71.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.064 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -115.55 -66.14 1.12 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.104 0.478 . . . . 0.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.22 26.13 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.176 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 tt -80.55 -31.03 37.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.068 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.936 0.398 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.5 mtp -168.64 -179.35 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.75 -32.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -69.09 -32.93 72.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 -31.01 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.601 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.31 -34.2 10.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.122 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.3 t -71.56 -29.7 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.306 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.37 -26.48 68.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.231 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -126.8 -66.92 0.88 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 111.335 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -41.95 18.13 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.233 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.26 -31.02 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.05 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.104 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.834 0.35 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.67 137.58 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 m -62.63 -31.09 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.54 -31.2 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.97 -1.57 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.52 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.13 -33.94 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.155 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 t -71.48 -30.47 39.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.208 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.57 -29.98 70.37 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -115.23 -65.78 1.15 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 111.258 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.73 -52.11 21.46 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.187 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.1 tt -79.98 -30.98 39.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.086 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.817 0.342 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.37 143.73 32.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.89 -31.47 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -81.73 -31.98 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.48 -31.19 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.68 -1.91 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.577 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.21 -33.52 11.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.001 0.429 . . . . 0.0 110.205 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.2 t -72.43 -29.91 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.266 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.503 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.36 -29.15 69.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -119.75 -65.71 1.13 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.189 0.518 . . . . 0.0 111.273 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.79 -25.66 9.71 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.498 -0.774 . . . . 0.0 113.206 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.1 tt -113.98 -34.07 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.118 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.156 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.29 -29.0 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.93 -2.0 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.626 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.92 -34.56 10.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.721 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.4 t -70.92 -30.06 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.544 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.17 -29.51 70.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 37.7 tt0 -116.96 -66.08 1.12 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.287 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.1 -50.41 28.04 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.146 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 104' ' ' VAL . 4.6 tt -79.81 -30.26 40.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.99 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.37 -31.05 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.62 -1.91 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.584 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.94 -34.4 10.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.074 0.464 . . . . 0.0 110.091 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 108' ' ' LEU . 21.7 t -71.03 -29.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.55 -33.05 74.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.076 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -110.31 -66.1 1.1 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.75 -54.6 13.34 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.553 -0.749 . . . . 0.0 113.137 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 104' ' ' VAL . 10.0 tt -83.95 -30.96 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -31.06 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.605 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -98.29 -34.24 10.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.439 . . . . 0.0 110.12 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.711 HG13 HD23 ' A' ' 108' ' ' LEU . 20.2 t -71.52 -29.74 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.4 -26.46 68.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 14.1 tt0 -126.81 -66.92 0.88 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 111.304 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.51 -41.83 18.5 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.228 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.4 -30.92 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.996 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 m120 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.836 0.35 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.85 -30.92 70.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.9 43.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.05 -34.44 10.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.09 0.471 . . . . 0.0 110.093 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -70.98 -29.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.06 -31.25 72.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.025 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -112.16 -66.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.133 0.492 . . . . 0.0 111.242 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.18 -53.57 18.71 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.159 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.659 HD13 HG13 ' A' ' 104' ' ' VAL . 8.8 tt -82.25 -33.57 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.128 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.82 72.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.96 -2.16 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.578 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.83 -34.18 10.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 110.106 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -71.14 -29.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.37 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.031 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -106.9 -66.81 0.99 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 111.266 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.25 -55.89 11.69 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.029 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.96 -31.48 39.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.786 0.327 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.67 -31.1 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.63 -1.91 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.525 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.47 10.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.441 . . . . 0.0 110.1 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 108' ' ' LEU . 21.2 t -71.0 -29.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.355 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.38 -29.79 70.73 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.065 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.79 -65.98 1.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.88 -50.56 26.4 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.149 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.627 HD13 HG13 ' A' ' 104' ' ' VAL . 8.7 tt -82.28 -31.0 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.014 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -92.38 -29.03 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.03 -1.91 41.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.613 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -98.23 -34.18 10.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.421 . . . . 0.0 110.128 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' A' ' 108' ' ' LEU . 21.3 t -71.59 -29.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.321 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.58 -26.66 68.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.219 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 25.7 tt0 -127.21 -66.78 0.87 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.149 0.499 . . . . 0.0 111.313 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.16 -41.42 15.26 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.279 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 104' ' ' VAL . 1.2 tp -97.29 -31.0 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.98 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.96 -31.09 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.99 44.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.569 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.24 -34.21 10.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.126 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.771 HG13 HD23 ' A' ' 108' ' ' LEU . 19.6 t -71.79 -28.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.388 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -64.06 -30.84 71.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.061 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 4.6 tt0 -124.03 -66.54 0.98 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.48 -29.15 5.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.238 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.771 HD23 HG13 ' A' ' 104' ' ' VAL . 12.8 tp -113.99 -32.5 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.145 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.87 -1.6 44.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.566 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.37 -33.64 10.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.199 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 108' ' ' LEU . 25.4 t -72.02 -30.15 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.261 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.542 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -61.8 -26.19 67.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.157 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 3.0 tt0 -126.82 -66.71 0.89 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.31 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -42.16 18.46 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.472 -0.786 . . . . 0.0 113.291 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 104' ' ' VAL . 9.9 tp -96.44 -30.91 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.004 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.805 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -90.59 -28.89 18.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.74 -2.2 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.613 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.84 -34.25 10.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.433 . . . . 0.0 110.15 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.2 t -71.61 -29.57 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.344 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.63 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.07 -30.89 71.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 44.0 tt0 -114.97 -66.12 1.12 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.109 0.48 . . . . 0.0 111.271 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.95 -34.36 22.96 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.135 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.625 HD22 ' CG1' ' A' ' 104' ' ' VAL . 8.3 tt -105.49 -30.72 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.343 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.04 -30.9 70.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.51 -1.95 43.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.43 10.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.028 0.442 . . . . 0.0 110.13 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.6 t -71.0 -29.76 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.297 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.63 -30.23 71.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.4 -66.09 1.12 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.43 25.48 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.105 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 104' ' ' VAL . 6.7 tt -80.23 -31.11 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.24 -31.1 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.54 -1.99 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.551 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.46 10.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.698 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.3 t -70.95 -29.83 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.63 -30.09 71.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.064 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 47.1 tt0 -115.55 -66.14 1.12 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.104 0.478 . . . . 0.0 111.299 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.22 26.13 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.176 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.698 HD22 ' CG1' ' A' ' 104' ' ' VAL . 5.4 tt -80.55 -31.03 37.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.068 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 -31.01 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.601 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.31 -34.2 10.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.122 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 108' ' ' LEU . 20.3 t -71.56 -29.7 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.306 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.37 -26.48 68.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.231 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 21.9 tt0 -126.8 -66.92 0.88 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 111.335 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -41.95 18.13 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.233 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.26 -31.02 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.05 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.54 -31.2 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.97 -1.57 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.52 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.13 -33.94 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.155 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.622 HG13 HD13 ' A' ' 108' ' ' LEU . 30.2 t -71.48 -30.47 39.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.208 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.729 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -61.57 -29.98 70.37 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 50.4 tt0 -115.23 -65.78 1.15 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 111.258 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.73 -52.11 21.46 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.187 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.622 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.98 -30.98 39.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m120 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.48 -31.19 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.68 -1.91 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.577 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.21 -33.52 11.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.001 0.429 . . . . 0.0 110.205 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 HD13 ' A' ' 108' ' ' LEU . 24.2 t -72.43 -29.91 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.266 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.36 -29.15 69.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -119.75 -65.71 1.13 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.189 0.518 . . . . 0.0 111.273 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.79 -25.66 9.71 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.498 -0.774 . . . . 0.0 113.206 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 104' ' ' VAL . 10.1 tt -113.98 -34.07 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.156 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.3 mtp -161.02 157.96 27.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.93 -31.16 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.24 -31.22 69.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.29 -29.0 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.93 -2.0 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.626 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.92 -34.56 10.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.721 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.4 t -70.92 -30.06 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.544 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.17 -29.51 70.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 37.7 tt0 -116.96 -66.08 1.12 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.287 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.1 -50.41 28.04 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.146 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 104' ' ' VAL . 4.6 tt -79.81 -30.26 40.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.99 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 156.27 30.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.87 -32.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.7 -32.92 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.37 -31.05 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.62 -1.91 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.584 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.94 -34.4 10.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.074 0.464 . . . . 0.0 110.091 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 108' ' ' LEU . 21.7 t -71.03 -29.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.55 -33.05 74.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.076 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -110.31 -66.1 1.1 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.75 -54.6 13.34 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.553 -0.749 . . . . 0.0 113.137 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 104' ' ' VAL . 10.0 tt -83.95 -30.96 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.909 0.385 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.4 mtp -168.72 -179.42 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.55 -32.27 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -66.15 -33.03 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -31.06 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.605 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -98.29 -34.24 10.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.439 . . . . 0.0 110.12 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.711 HG13 HD23 ' A' ' 108' ' ' LEU . 20.2 t -71.52 -29.74 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.4 -26.46 68.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 14.1 tt0 -126.81 -66.92 0.88 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 111.304 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.51 -41.83 18.5 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.228 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.4 -30.92 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.996 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 mtp -168.26 -176.94 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.52 -32.35 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.98 -33.05 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.85 -30.92 70.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.9 43.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.05 -34.44 10.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.09 0.471 . . . . 0.0 110.093 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -70.98 -29.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.06 -31.25 72.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.025 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -112.16 -66.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.133 0.492 . . . . 0.0 111.242 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.18 -53.57 18.71 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.159 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.659 HD13 HG13 ' A' ' 104' ' ' VAL . 8.8 tt -82.25 -33.57 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.128 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.88 0.372 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.4 mmm -165.91 138.91 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.04 -32.51 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.82 72.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.96 -2.16 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.578 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.83 -34.18 10.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 110.106 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -71.14 -29.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.37 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.031 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -106.9 -66.81 0.99 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 111.266 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.25 -55.89 11.69 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.029 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.96 -31.48 39.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.35 160.5 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.81 -32.36 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -69.68 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.67 -31.1 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.63 -1.91 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.525 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.47 10.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.441 . . . . 0.0 110.1 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 108' ' ' LEU . 21.2 t -71.0 -29.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.355 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.38 -29.79 70.73 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.065 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.79 -65.98 1.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.88 -50.56 26.4 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.149 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.627 HD13 HG13 ' A' ' 104' ' ' VAL . 8.7 tt -82.28 -31.0 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.014 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.9 mtp -100.28 179.72 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.13 -31.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -59.95 -31.19 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -92.38 -29.03 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.03 -1.91 41.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.613 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -98.23 -34.18 10.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.421 . . . . 0.0 110.128 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' A' ' 108' ' ' LEU . 21.3 t -71.59 -29.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.321 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.58 -26.66 68.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.219 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 25.7 tt0 -127.21 -66.78 0.87 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.149 0.499 . . . . 0.0 111.313 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.16 -41.42 15.26 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.279 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 104' ' ' VAL . 1.2 tp -97.29 -31.0 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.98 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.0 mtp -168.71 -176.92 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.77 -32.29 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -68.37 -32.9 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.96 -31.09 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.99 44.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.569 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.24 -34.21 10.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.126 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.771 HG13 HD23 ' A' ' 108' ' ' LEU . 19.6 t -71.79 -28.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.388 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -64.06 -30.84 71.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.061 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 4.6 tt0 -124.03 -66.54 0.98 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.48 -29.15 5.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.238 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.771 HD23 HG13 ' A' ' 104' ' ' VAL . 12.8 tp -113.99 -32.5 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.145 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.782 0.325 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 mtp -157.33 134.16 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 99' ' ' VAL . 4.2 m -62.81 -32.03 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -76.17 -31.62 58.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.87 -1.6 44.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.566 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.37 -33.64 10.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.199 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 108' ' ' LEU . 25.4 t -72.02 -30.15 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.261 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.542 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -61.8 -26.19 67.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.157 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 3.0 tt0 -126.82 -66.71 0.89 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.31 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -42.16 18.46 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.472 -0.786 . . . . 0.0 113.291 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 104' ' ' VAL . 9.9 tp -96.44 -30.91 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.004 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.82 -178.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.68 -32.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.48 -31.34 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -90.59 -28.89 18.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.74 -2.2 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.613 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.84 -34.25 10.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.433 . . . . 0.0 110.15 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.2 t -71.61 -29.57 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.344 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.07 -30.89 71.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 44.0 tt0 -114.97 -66.12 1.12 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.109 0.48 . . . . 0.0 111.271 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.95 -34.36 22.96 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.135 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.625 HD22 ' CG1' ' A' ' 104' ' ' VAL . 8.3 tt -105.49 -30.72 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.931 0.396 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -175.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.5 t -78.15 -32.32 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.44 -33.06 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.04 -30.9 70.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.51 -1.95 43.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.43 10.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.028 0.442 . . . . 0.0 110.13 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.6 t -71.0 -29.76 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.297 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.63 -30.23 71.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.4 -66.09 1.12 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.43 25.48 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.105 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 104' ' ' VAL . 6.7 tt -80.23 -31.11 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.4 mtp -136.71 -177.25 4.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.21 -32.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.0 -32.96 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.24 -31.1 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.54 -1.99 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.551 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.46 10.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.698 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.3 t -70.95 -29.83 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.63 -30.09 71.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.064 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 47.1 tt0 -115.55 -66.14 1.12 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.104 0.478 . . . . 0.0 111.299 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.22 26.13 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.176 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.698 HD22 ' CG1' ' A' ' 104' ' ' VAL . 5.4 tt -80.55 -31.03 37.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.068 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.936 0.398 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.5 mtp -168.64 -179.35 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.75 -32.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -69.09 -32.93 72.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 -31.01 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.601 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.31 -34.2 10.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.122 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 108' ' ' LEU . 20.3 t -71.56 -29.7 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.306 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.37 -26.48 68.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.231 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 21.9 tt0 -126.8 -66.92 0.88 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 111.335 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -41.95 18.13 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.233 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.26 -31.02 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.05 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.834 0.35 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.67 137.58 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 m -62.63 -31.09 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.54 -31.2 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.97 -1.57 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.52 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.13 -33.94 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.155 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.622 HG13 HD13 ' A' ' 108' ' ' LEU . 30.2 t -71.48 -30.47 39.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.208 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.729 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -61.57 -29.98 70.37 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 50.4 tt0 -115.23 -65.78 1.15 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 111.258 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.73 -52.11 21.46 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.187 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.622 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.98 -30.98 39.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.817 0.342 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.37 143.73 32.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.89 -31.47 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m120 -81.73 -31.98 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.48 -31.19 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.68 -1.91 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.577 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.21 -33.52 11.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.001 0.429 . . . . 0.0 110.205 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 HD13 ' A' ' 108' ' ' LEU . 24.2 t -72.43 -29.91 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.266 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.36 -29.15 69.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -119.75 -65.71 1.13 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.189 0.518 . . . . 0.0 111.273 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.79 -25.66 9.71 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.498 -0.774 . . . . 0.0 113.206 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 104' ' ' VAL . 10.1 tt -113.98 -34.07 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.156 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.29 -29.0 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.93 -2.0 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.626 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.92 -34.56 10.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.721 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.4 t -70.92 -30.06 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.544 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.17 -29.51 70.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 37.7 tt0 -116.96 -66.08 1.12 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.287 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.1 -50.41 28.04 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.146 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 104' ' ' VAL . 4.6 tt -79.81 -30.26 40.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.99 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.37 -31.05 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.62 -1.91 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.584 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.94 -34.4 10.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.074 0.464 . . . . 0.0 110.091 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 108' ' ' LEU . 21.7 t -71.03 -29.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.55 -33.05 74.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.076 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -110.31 -66.1 1.1 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.75 -54.6 13.34 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.553 -0.749 . . . . 0.0 113.137 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 104' ' ' VAL . 10.0 tt -83.95 -30.96 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -31.06 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.605 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -98.29 -34.24 10.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.439 . . . . 0.0 110.12 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.711 HG13 HD23 ' A' ' 108' ' ' LEU . 20.2 t -71.52 -29.74 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.4 -26.46 68.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 14.1 tt0 -126.81 -66.92 0.88 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 111.304 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.51 -41.83 18.5 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.228 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.4 -30.92 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.996 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 m120 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.836 0.35 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.85 -30.92 70.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.9 43.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.05 -34.44 10.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.09 0.471 . . . . 0.0 110.093 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -70.98 -29.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.06 -31.25 72.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.025 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -112.16 -66.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.133 0.492 . . . . 0.0 111.242 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.18 -53.57 18.71 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.159 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.659 HD13 HG13 ' A' ' 104' ' ' VAL . 8.8 tt -82.25 -33.57 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.128 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.82 72.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.96 -2.16 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.578 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.83 -34.18 10.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 110.106 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -71.14 -29.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.37 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.031 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -106.9 -66.81 0.99 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 111.266 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.25 -55.89 11.69 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.029 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.96 -31.48 39.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.786 0.327 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.67 -31.1 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.63 -1.91 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.525 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.47 10.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.441 . . . . 0.0 110.1 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 108' ' ' LEU . 21.2 t -71.0 -29.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.355 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.38 -29.79 70.73 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.065 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.79 -65.98 1.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.88 -50.56 26.4 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.149 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.627 HD13 HG13 ' A' ' 104' ' ' VAL . 8.7 tt -82.28 -31.0 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.014 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -92.38 -29.03 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.03 -1.91 41.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.613 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -98.23 -34.18 10.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.421 . . . . 0.0 110.128 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' A' ' 108' ' ' LEU . 21.3 t -71.59 -29.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.321 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.58 -26.66 68.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.219 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 25.7 tt0 -127.21 -66.78 0.87 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.149 0.499 . . . . 0.0 111.313 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.16 -41.42 15.26 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.279 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 104' ' ' VAL . 1.2 tp -97.29 -31.0 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.98 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.96 -31.09 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.99 44.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.569 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.24 -34.21 10.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.126 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.771 HG13 HD23 ' A' ' 108' ' ' LEU . 19.6 t -71.79 -28.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.388 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -64.06 -30.84 71.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.061 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 4.6 tt0 -124.03 -66.54 0.98 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.48 -29.15 5.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.238 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.771 HD23 HG13 ' A' ' 104' ' ' VAL . 12.8 tp -113.99 -32.5 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.145 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.87 -1.6 44.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.566 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.37 -33.64 10.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.199 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 108' ' ' LEU . 25.4 t -72.02 -30.15 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.261 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.542 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -61.8 -26.19 67.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.157 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 3.0 tt0 -126.82 -66.71 0.89 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.31 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -42.16 18.46 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.472 -0.786 . . . . 0.0 113.291 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 104' ' ' VAL . 9.9 tp -96.44 -30.91 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.004 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.805 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -90.59 -28.89 18.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.74 -2.2 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.613 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.84 -34.25 10.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.433 . . . . 0.0 110.15 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.2 t -71.61 -29.57 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.344 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.63 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.07 -30.89 71.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 44.0 tt0 -114.97 -66.12 1.12 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.109 0.48 . . . . 0.0 111.271 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.95 -34.36 22.96 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.135 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.625 HD22 ' CG1' ' A' ' 104' ' ' VAL . 8.3 tt -105.49 -30.72 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.343 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.04 -30.9 70.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.51 -1.95 43.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.43 10.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.028 0.442 . . . . 0.0 110.13 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.6 t -71.0 -29.76 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.297 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.63 -30.23 71.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.4 -66.09 1.12 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.43 25.48 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.105 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 104' ' ' VAL . 6.7 tt -80.23 -31.11 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.24 -31.1 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.54 -1.99 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.551 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.46 10.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.698 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.3 t -70.95 -29.83 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.63 -30.09 71.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.064 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 47.1 tt0 -115.55 -66.14 1.12 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.104 0.478 . . . . 0.0 111.299 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.22 26.13 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.176 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.698 HD22 ' CG1' ' A' ' 104' ' ' VAL . 5.4 tt -80.55 -31.03 37.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.068 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 -31.01 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.601 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.31 -34.2 10.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.122 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 108' ' ' LEU . 20.3 t -71.56 -29.7 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.306 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.37 -26.48 68.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.231 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 21.9 tt0 -126.8 -66.92 0.88 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 111.335 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -41.95 18.13 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.233 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.26 -31.02 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.05 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.54 -31.2 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.97 -1.57 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.52 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.13 -33.94 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.155 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.622 HG13 HD13 ' A' ' 108' ' ' LEU . 30.2 t -71.48 -30.47 39.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.208 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.729 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -61.57 -29.98 70.37 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 50.4 tt0 -115.23 -65.78 1.15 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 111.258 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.73 -52.11 21.46 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.187 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.622 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.98 -30.98 39.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m120 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.48 -31.19 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.68 -1.91 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.577 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.21 -33.52 11.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.001 0.429 . . . . 0.0 110.205 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 HD13 ' A' ' 108' ' ' LEU . 24.2 t -72.43 -29.91 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.266 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.36 -29.15 69.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -119.75 -65.71 1.13 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.189 0.518 . . . . 0.0 111.273 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.79 -25.66 9.71 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.498 -0.774 . . . . 0.0 113.206 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 104' ' ' VAL . 10.1 tt -113.98 -34.07 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.156 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.3 mtp -161.02 157.96 27.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.93 -31.16 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -60.24 -31.22 69.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.29 -29.0 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.544 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.93 -2.0 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.626 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.92 -34.56 10.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.721 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.4 t -70.92 -30.06 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.544 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.17 -29.51 70.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 37.7 tt0 -116.96 -66.08 1.12 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.287 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.1 -50.41 28.04 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.146 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.721 HD22 ' CG1' ' A' ' 104' ' ' VAL . 4.6 tt -79.81 -30.26 40.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.99 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.836 0.35 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 156.27 30.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.87 -32.34 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -70.7 -32.92 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.37 -31.05 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.62 -1.91 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.584 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.94 -34.4 10.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.074 0.464 . . . . 0.0 110.091 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 108' ' ' LEU . 21.7 t -71.03 -29.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.55 -33.05 74.15 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.076 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -110.31 -66.1 1.1 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.75 -54.6 13.34 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.553 -0.749 . . . . 0.0 113.137 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.489 ' HB3' HG13 ' A' ' 104' ' ' VAL . 10.0 tt -83.95 -30.96 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.909 0.385 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.4 mtp -168.72 -179.42 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.55 -32.27 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -66.15 -33.03 74.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -31.06 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.605 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -98.29 -34.24 10.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.023 0.439 . . . . 0.0 110.12 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.711 HG13 HD23 ' A' ' 108' ' ' LEU . 20.2 t -71.52 -29.74 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.318 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -62.4 -26.46 68.49 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 14.1 tt0 -126.81 -66.92 0.88 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 111.304 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.51 -41.83 18.5 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.496 -0.775 . . . . 0.0 113.228 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.711 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.4 -30.92 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.996 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.754 0.311 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 mtp -168.26 -176.94 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.52 -32.35 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -69.98 -33.05 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -67.85 -30.92 70.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.9 43.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.05 -34.44 10.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.09 0.471 . . . . 0.0 110.093 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -70.98 -29.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.536 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -63.06 -31.25 72.35 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.025 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -112.16 -66.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.133 0.492 . . . . 0.0 111.242 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.18 -53.57 18.71 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.523 -0.762 . . . . 0.0 113.159 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.659 HD13 HG13 ' A' ' 104' ' ' VAL . 8.8 tt -82.25 -33.57 29.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.128 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.88 0.372 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.4 mmm -165.91 138.91 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.04 -32.51 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -70.18 -33.82 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -31.82 72.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.96 -2.16 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.578 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.83 -34.18 10.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 110.106 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 HD13 ' A' ' 108' ' ' LEU . 20.7 t -71.14 -29.17 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.37 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.713 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -63.18 -35.16 79.37 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.031 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -106.9 -66.81 0.99 Allowed 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 111.266 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.25 -55.89 11.69 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.029 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.96 -31.48 39.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.857 0.36 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.3 mtp -68.35 160.5 29.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.81 -32.36 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -69.68 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -67.67 -31.1 70.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.63 -1.91 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.525 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.47 10.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.027 0.441 . . . . 0.0 110.1 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 108' ' ' LEU . 21.2 t -71.0 -29.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.355 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.38 -29.79 70.73 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.065 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.79 -65.98 1.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.88 -50.56 26.4 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.149 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.627 HD13 HG13 ' A' ' 104' ' ' VAL . 8.7 tt -82.28 -31.0 30.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 111.014 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.764 0.316 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.9 mtp -100.28 179.72 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.13 -31.8 54.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -59.95 -31.19 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -92.38 -29.03 16.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.03 -1.91 41.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.613 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 tp -98.23 -34.18 10.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.421 . . . . 0.0 110.128 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' A' ' 108' ' ' LEU . 21.3 t -71.59 -29.6 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.321 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.547 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.58 -26.66 68.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.219 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 25.7 tt0 -127.21 -66.78 0.87 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.149 0.499 . . . . 0.0 111.313 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.16 -41.42 15.26 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.497 -0.774 . . . . 0.0 113.279 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 104' ' ' VAL . 1.2 tp -97.29 -31.0 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.98 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.0 mtp -168.71 -176.92 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.77 -32.29 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -68.37 -32.9 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.96 -31.09 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.56 -1.99 44.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.569 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.24 -34.21 10.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.126 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.771 HG13 HD23 ' A' ' 108' ' ' LEU . 19.6 t -71.79 -28.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.388 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -64.06 -30.84 71.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.061 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 4.6 tt0 -124.03 -66.54 0.98 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.48 -29.15 5.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.238 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.771 HD23 HG13 ' A' ' 104' ' ' VAL . 12.8 tp -113.99 -32.5 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 111.082 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.145 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.782 0.325 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 mtp -157.33 134.16 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 99' ' ' VAL . 4.2 m -62.81 -32.03 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -76.17 -31.62 58.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.85 -31.24 63.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.87 -1.6 44.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.566 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.37 -33.64 10.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.199 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 108' ' ' LEU . 25.4 t -72.02 -30.15 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.261 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.542 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -61.8 -26.19 67.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.157 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 3.0 tt0 -126.82 -66.71 0.89 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.31 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -42.16 18.46 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.472 -0.786 . . . . 0.0 113.291 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 104' ' ' VAL . 9.9 tp -96.44 -30.91 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 111.004 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.956 0.408 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.82 -178.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.68 -32.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -68.48 -31.34 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -90.59 -28.89 18.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.546 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.74 -2.2 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.613 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -97.84 -34.25 10.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.433 . . . . 0.0 110.15 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.625 ' CG1' HD22 ' A' ' 108' ' ' LEU . 21.2 t -71.61 -29.57 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.344 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.07 -30.89 71.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.991 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 44.0 tt0 -114.97 -66.12 1.12 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.109 0.48 . . . . 0.0 111.271 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.95 -34.36 22.96 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.135 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.625 HD22 ' CG1' ' A' ' 104' ' ' VAL . 8.3 tt -105.49 -30.72 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.931 0.396 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -175.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.5 t -78.15 -32.32 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.44 -33.06 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.04 -30.9 70.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.51 -1.95 43.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.539 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.43 10.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.028 0.442 . . . . 0.0 110.13 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.602 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.6 t -71.0 -29.76 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.297 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.715 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -62.63 -30.23 71.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.045 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.4 -66.09 1.12 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.43 25.48 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.105 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.602 HD22 ' CG1' ' A' ' 104' ' ' VAL . 6.7 tt -80.23 -31.11 38.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 5.4 mtp -136.71 -177.25 4.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.21 -32.33 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -69.0 -32.96 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.24 -31.1 71.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.54 -1.99 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.551 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.04 -34.46 10.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.698 ' CG1' HD22 ' A' ' 108' ' ' LEU . 20.3 t -70.95 -29.83 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.724 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -62.63 -30.09 71.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.064 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 47.1 tt0 -115.55 -66.14 1.12 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.104 0.478 . . . . 0.0 111.299 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.12 -51.22 26.13 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.176 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.698 HD22 ' CG1' ' A' ' 104' ' ' VAL . 5.4 tt -80.55 -31.03 37.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.068 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.936 0.398 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.5 mtp -168.64 -179.35 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.75 -32.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -69.09 -32.93 72.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 -31.01 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.52 -1.94 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.601 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 tp -98.31 -34.2 10.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.122 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 108' ' ' LEU . 20.3 t -71.56 -29.7 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.306 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -62.37 -26.48 68.48 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.231 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 21.9 tt0 -126.8 -66.92 0.88 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.186 0.517 . . . . 0.0 111.335 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -47.43 -41.95 18.13 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.525 -0.762 . . . . 0.0 113.233 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 104' ' ' VAL . 11.0 tp -96.26 -31.02 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.05 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.834 0.35 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.67 137.58 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 m -62.63 -31.09 50.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -65.99 -31.66 72.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -85.54 -31.2 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.97 -1.57 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.52 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tp -98.13 -33.94 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.155 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.622 HG13 HD13 ' A' ' 108' ' ' LEU . 30.2 t -71.48 -30.47 39.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.208 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.729 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.2 OUTLIER -61.57 -29.98 70.37 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.02 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 105' ' ' ARG . 50.4 tt0 -115.23 -65.78 1.15 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 111.258 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -48.73 -52.11 21.46 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.187 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.622 HD13 HG13 ' A' ' 104' ' ' VAL . 8.1 tt -79.98 -30.98 39.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.993 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 105' ' ' ARG . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.817 0.342 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.37 143.73 32.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.89 -31.47 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 m120 -81.73 -31.98 31.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.48 -31.19 26.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 105' ' ' ARG . . . -80.68 -1.91 44.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.577 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.21 -33.52 11.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.001 0.429 . . . . 0.0 110.205 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 HD13 ' A' ' 108' ' ' LEU . 24.2 t -72.43 -29.91 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.266 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -61.36 -29.15 69.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -119.75 -65.71 1.13 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.189 0.518 . . . . 0.0 111.273 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.79 -25.66 9.71 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.498 -0.774 . . . . 0.0 113.206 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 104' ' ' VAL . 10.1 tt -113.98 -34.07 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.746 0.308 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.156 -179.892 . . . . . . . . 0 0 . 1 stop_ save_