data_2mxd_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 2mxd _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.43 -45.65 92.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -67.47 -40.98 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 0.0 110.651 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.0 -38.8 92.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.792 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.18 -44.28 92.16 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.85 -39.34 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.745 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.29 -43.72 93.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.235 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.407 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.1 t90 -65.56 -46.77 78.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.156 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.407 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.8 mm-40 -64.03 -37.07 86.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.226 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.84 -36.95 81.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.06 -39.04 83.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 967' ' ' ARG . 78.1 mt -60.66 -43.37 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.283 178.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -57.87 -40.52 80.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.29 -44.67 96.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.376 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -85.36 -4.89 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 963' ' ' ILE . 91.0 mtt-85 50.88 15.8 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.636 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -134.95 135.67 41.67 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.15 128.01 34.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.029 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 971' ' ' THR . 2.5 ppp? -125.52 162.0 25.89 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.078 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.544 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 25.7 p -86.03 155.04 21.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.275 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.64 -42.02 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.405 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -52.36 -48.59 65.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.544 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.21 -42.5 81.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.102 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -60.2 -45.32 93.57 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.218 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.95 -40.06 94.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.246 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -64.91 -41.86 95.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.79 -48.85 72.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.937 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 39.9 pttt -67.75 -42.58 81.58 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.2 tt0 -52.01 -52.42 50.82 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.942 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.85 -44.86 88.39 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.617 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.87 71.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.076 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 983' ' ' LEU . 6.1 mp -65.58 -24.78 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 29.5 t -78.26 3.64 14.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.75 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.05 28.68 25.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.65 145.75 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.977 0.389 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 49.8 m -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.938 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -43.66 148.85 0.67 Allowed Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.03 -31.58 91.26 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.916 1.744 . . . . 0.0 111.55 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.22 -27.68 63.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.636 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 2.4 t -73.02 -52.78 13.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.511 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -37.58 87.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -65.97 -39.15 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.25 -46.3 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.241 0.543 . . . . 0.0 109.839 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -59.27 -39.41 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.04 95.9 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.35 -39.42 70.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.35 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.33 -44.22 88.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.5 -43.3 99.12 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -58.74 -41.33 86.24 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.791 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.66 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.45 -39.7 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.079 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.58 -42.55 78.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.053 0.454 . . . . 0.0 109.923 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -68.84 -37.67 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.415 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.8 -42.59 89.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.17 -38.31 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.37 -44.16 88.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.422 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -61.32 -49.29 77.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.442 . . . . 0.0 109.868 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.422 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.9 mm-40 -61.93 -37.05 83.23 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.36 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -65.23 -36.0 82.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.2 tp -69.92 -38.54 75.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.11 -42.53 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.34 -42.9 96.66 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.608 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -76.99 -0.63 25.16 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.926 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 52.29 42.62 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -162.48 -157.48 0.46 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -118.67 134.64 54.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.925 0.393 . . . . 0.0 111.223 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.5 mtm -136.48 -174.82 3.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.475 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.455 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 21.6 p -120.13 157.05 29.8 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.992 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.18 -44.46 52.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.646 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.03 -44.22 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -44.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -40.95 95.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -67.3 -37.97 84.24 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.61 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.25 -46.66 79.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.101 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 47.9 pttt -69.24 -44.2 72.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 37.7 tp10 -53.66 -51.83 61.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -64.62 -44.51 90.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.018 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.69 65.19 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.41 -22.52 66.23 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.727 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 18.2 t -79.4 -3.63 47.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.506 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.74 29.57 9.14 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.55 148.35 48.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 99.3 p -104.95 -2.25 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.05 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.82 152.41 1.79 Allowed Pre-proline 0 CA--C 1.531 0.213 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.85 -34.04 98.86 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.855 1.703 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.93 -34.01 76.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.701 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.6 t -69.41 -48.0 62.4 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.0 78.31 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.874 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.33 -39.93 95.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -62.13 -43.07 99.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.779 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -59.21 -42.56 91.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.75 97.81 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.374 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -53.62 -40.6 65.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.64 -40.46 97.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -63.51 -43.04 98.33 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.2 -41.87 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -60.58 -46.26 90.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.598 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.407 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -45.75 81.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.2 -42.96 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.09 -38.49 88.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.171 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.61 -44.08 93.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.187 0.518 . . . . 0.0 109.784 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.42 -37.8 87.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.729 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.84 -38.84 89.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.927 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.467 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.4 t90 -62.22 -48.05 81.72 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.467 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -63.44 -36.99 85.56 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.99 -39.18 93.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.74 -37.82 78.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.28 -43.43 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.294 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.81 -40.32 92.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.441 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 71.5 m95 -75.13 -3.78 34.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.044 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 55.7 20.17 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.579 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -149.28 141.59 24.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.17 135.17 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.735 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 10.2 mtm -132.35 -172.78 2.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.889 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 59.5 p -118.88 160.45 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.904 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.8 -43.2 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -50.18 -48.59 53.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.648 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.553 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.3 OUTLIER -57.24 -48.1 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.15 -43.5 98.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.272 0.558 . . . . 0.0 110.283 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.25 -43.25 96.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.395 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -67.5 -35.68 79.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.596 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.43 -47.2 80.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.556 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -69.16 -37.12 78.06 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.07 -50.23 74.85 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . 0.474 ' C ' ' HG ' ' A' ' 984' ' ' SER . 99.6 mtt180 -63.48 -46.62 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.393 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.61 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 111.205 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.82 -21.79 65.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.474 ' HG ' ' C ' ' A' ' 981' ' ' ARG . 96.6 p -79.6 -3.34 46.59 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.469 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.98 29.4 8.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.97 149.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.05 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -112.84 -0.95 14.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.98 150.69 5.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.85 -32.02 93.93 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.733 1.622 . . . . 0.0 111.486 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.25 -32.88 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.091 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 66.8 m -70.58 -52.98 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.22 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.18 -39.3 92.71 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.661 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 17.9 mmm180 -62.76 -39.07 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.09 -47.16 87.59 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.27 -40.98 87.76 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.55 93.95 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -53.46 -42.38 67.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.24 -47.6 83.66 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.415 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.06 -42.27 94.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -62.36 -44.03 97.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.309 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.837 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.71 -44.76 96.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.17 -42.89 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.802 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.28 -42.45 88.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.168 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.31 -43.87 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 110.132 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.42 -37.43 87.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -66.1 -40.55 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.077 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.498 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.5 t90 -63.13 -45.97 89.44 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.871 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.498 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.6 mm-40 -64.63 -38.08 89.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.984 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.43 -37.67 87.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -40.13 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.98 -43.6 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.185 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -60.14 -38.82 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.59 -44.97 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.496 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.2 -2.33 24.3 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.554 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 52.6 30.8 9.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.011 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -146.1 -149.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.12 141.42 44.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -154.44 175.57 13.42 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.632 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 37.3 p -95.92 162.86 13.39 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.532 0.682 . . . . 0.0 112.465 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.46 -42.59 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.184 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.54 -41.81 73.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.371 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.632 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.2 OUTLIER -62.86 -39.68 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.947 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.46 -44.83 95.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.91 -38.59 88.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.671 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.99 -37.64 88.31 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.696 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.97 -47.31 75.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.248 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 19.1 pttm -66.91 -44.99 79.32 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.8 tt0 -53.94 -45.91 71.38 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.566 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -63.29 -47.24 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.86 -47.27 78.51 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.172 0.511 . . . . 0.0 111.219 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.39 -26.01 68.55 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.411 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 1.8 t -79.14 0.13 29.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.822 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.61 29.28 16.71 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.38 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.53 145.49 53.97 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 4.6 t -100.99 -5.48 25.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -42.37 151.21 0.37 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.97 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -59.51 -30.05 91.51 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.378 1.385 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.23 -27.41 62.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.045 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 16.3 p -71.06 -53.96 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . 0.436 ' N ' ' OG ' ' A' ' 991' ' ' SER . 0.2 OUTLIER -64.78 -42.19 95.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.214 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.8 -38.02 89.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.43 -45.25 95.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.063 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.32 -43.11 99.41 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 0.0 109.395 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.84 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.171 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -53.17 -41.15 64.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.44 -42.36 99.4 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.41 -45.93 92.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.53 -41.53 90.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -64.39 -40.8 96.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.605 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 . . . . . 0 C--O 1.231 0.087 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 40.8 p-10 -63.49 -36.23 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.032 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 56.5 t0 -71.6 -41.12 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.303 0.573 . . . . 0.0 109.739 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.7 -38.56 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.632 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.66 -43.96 90.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.65 -38.39 87.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.068 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.77 -40.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.488 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 27.1 t90 -63.25 -43.52 97.77 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.488 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.1 mm-40 -65.15 -34.8 79.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.023 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -64.51 -39.52 93.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.6 tp -68.89 -36.52 74.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.13 -43.3 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.02 -42.42 94.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.553 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 82.1 m-20 -64.48 -40.52 95.83 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.054 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.527 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 80.4 m95 -73.92 -0.06 14.94 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.847 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 55.52 14.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.03 152.2 33.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.427 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -76.91 132.93 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 3.5 ptm -137.28 -166.98 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 81.1 p -116.13 164.86 13.85 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.357 0.598 . . . . 0.0 111.82 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.68 -42.57 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.731 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -49.89 -48.55 51.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -57.98 -46.01 85.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.469 . . . . 0.0 109.748 179.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.61 -48.33 79.88 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.113 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.5 -45.45 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.139 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.62 -47.4 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.143 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -70.53 -39.67 73.91 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.852 0.358 . . . . 0.0 110.148 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.72 -50.25 73.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.99 -43.69 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.29 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.994 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 983' ' ' LEU . 10.3 mp -68.54 -27.08 65.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 38.3 t -77.82 -1.05 29.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.964 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.95 30.05 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.404 -0.426 . . . . 0.0 112.184 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.83 144.88 56.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.203 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -107.65 0.88 22.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.41 151.04 0.78 Allowed Pre-proline 0 C--O 1.226 -0.148 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.67 -41.95 70.32 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 121.522 1.482 . . . . 0.0 111.157 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -67.11 -36.03 81.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.792 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 62.0 m -64.93 -53.12 51.35 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.28 -39.26 92.33 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.198 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.93 -40.21 96.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.86 -45.3 95.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.19 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.56 -41.54 90.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.266 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.553 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 61.5 t90 -54.0 -41.05 67.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.189 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -39.19 89.57 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -62.51 -41.84 99.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.434 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.76 -42.83 97.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.414 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -72.76 -33.42 66.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.469 -0.892 . . . . 0.0 109.782 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.407 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 30.4 p-10 -61.48 -37.21 82.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.181 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 66.1 t0 -71.23 -39.45 71.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.723 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -66.25 -40.61 90.3 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.976 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -59.58 -42.99 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.19 -36.1 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.793 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.02 -36.17 81.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.373 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.525 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 29.4 t90 -67.93 -47.69 68.0 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 109.863 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.525 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.3 mm-40 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.229 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.266 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 1.8 tt -67.07 -38.06 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.0 -43.58 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.87 -42.38 89.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.535 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 43.0 m-20 -62.37 -43.08 99.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.032 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -78.1 -4.83 49.35 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.79 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 51.38 40.22 26.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -152.78 -132.55 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.755 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -152.07 145.35 24.71 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.027 0.441 . . . . 0.0 111.137 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -153.93 -171.24 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.462 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.607 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 72.0 p -118.6 161.09 20.63 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.146 0.498 . . . . 0.0 110.809 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 18.0 t -60.34 -43.44 93.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.542 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -54.7 -44.12 73.13 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.17 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.607 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.5 OUTLIER -59.5 -42.62 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.46 -45.94 90.76 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.59 -39.98 95.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.472 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.16 -37.64 81.23 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.686 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.76 -47.95 76.31 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -68.18 -40.46 82.26 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 984' ' ' SER . 80.7 tt0 -54.53 -49.01 71.26 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.253 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.31 -43.63 90.42 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.391 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.56 76.14 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.023 0.439 . . . . 0.0 111.085 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.18 -22.1 65.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.832 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 980' ' ' GLU . 58.5 m -79.51 -3.35 46.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.22 25.01 17.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.79 151.14 46.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.876 0.338 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 91.6 p -109.47 -2.28 17.79 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.788 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -48.72 149.95 2.8 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 17.8 Cg_endo -57.72 -36.9 98.24 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 C-N-CA 121.396 1.398 . . . . 0.0 111.552 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -68.22 -30.98 70.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 71.6 m -68.66 -54.11 18.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.797 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -67.46 -37.59 83.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 6.7 mmp_? -62.91 -40.49 97.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.34 -46.76 87.23 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -58.75 -41.19 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.0 96.54 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.885 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.535 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 51.1 t90 -55.83 -40.85 73.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.4 -40.43 97.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.08 -45.88 91.43 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.351 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.33 -40.18 96.59 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.33 0.586 . . . . 0.0 109.726 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -61.28 -45.82 92.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.728 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.8 0.333 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 41.1 p-10 -62.29 -38.37 89.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.513 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 8.9 p-10 -72.5 -37.94 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.879 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -69.46 -40.86 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -61.95 -43.65 98.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.25 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -66.18 -39.81 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.216 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.483 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 26.7 t90 -65.58 -46.33 79.8 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.149 0.499 . . . . 0.0 110.121 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.483 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.4 mm-40 -63.97 -38.98 93.05 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.189 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -65.32 -36.71 84.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.188 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.439 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 2.4 tt -68.98 -38.73 78.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.02 -43.8 96.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.858 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -63.07 -38.72 92.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.525 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -58.45 -44.92 89.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.865 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.517 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 43.7 m95 -76.8 -3.25 37.39 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.86 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.36 17.25 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.125 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -132.44 -141.9 0.21 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 969' ' ' GLU . 1.9 pm0 -144.15 130.71 20.02 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.713 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.517 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 5.8 ptm -140.66 147.37 39.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.069 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.5 p -79.55 168.64 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.28 0.562 . . . . 0.0 111.92 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.5 -44.26 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.074 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -54.31 -40.52 68.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -61.6 -45.03 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.576 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -35.47 79.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -67.61 -35.84 79.71 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.13 -45.36 77.36 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.038 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 43.8 pttt -66.81 -44.34 81.44 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 85.3 tt0 -56.14 -50.78 70.17 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.313 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . 0.434 ' O ' ' OG ' ' A' ' 984' ' ' SER . 99.7 mtt180 -62.85 -47.1 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.848 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.66 -49.25 73.96 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.795 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.43 -26.35 68.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.323 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 90.1 p -78.37 -0.84 30.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 92.07 27.42 16.19 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.129 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.2 142.05 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 45.0 m -97.26 -4.74 38.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -43.18 150.04 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.07 -32.69 91.98 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.577 1.518 . . . . 0.0 110.749 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -65.46 -42.07 92.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.929 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.3 t -63.4 -51.09 67.27 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . 0.52 HE21 ' C ' ' A' ' 992' ' ' GLN . 0.0 OUTLIER -67.93 -37.41 81.61 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.11 -179.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.35 -39.44 94.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.61 -44.34 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.712 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -61.12 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.82 86.33 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.525 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 53.9 t90 -55.36 -41.3 72.36 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -38.89 92.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.09 99.68 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.955 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.29 -43.94 95.83 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.45 -43.16 99.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.952 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.737 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.07 -40.16 92.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 18.1 p-10 -72.73 -43.56 62.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.462 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.6 -40.96 98.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.037 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -60.23 -44.2 95.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.56 -41.56 98.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.206 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 958' ' ' GLU . 0.2 OUTLIER -63.76 -37.67 88.23 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.47 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.4 t90 -63.73 -48.4 77.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.166 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.47 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 87.6 mm-40 -65.41 -38.38 89.76 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.651 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -66.2 -36.03 81.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 1.8 tt -68.85 -38.99 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.27 -42.6 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.393 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.38 -41.58 85.13 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.466 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 40.8 t0 -64.34 -44.34 91.76 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.634 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -75.33 -2.18 27.14 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 52.76 14.92 0.47 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -137.15 140.31 41.75 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.25 137.05 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 111.984 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 11.6 mtm -134.92 -177.14 4.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.996 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.458 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 43.2 p -118.76 160.51 21.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.423 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.417 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.98 -40.56 63.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.907 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -62.59 -43.34 99.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.08 -45.63 92.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.817 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.0 -39.03 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.296 0.569 . . . . 0.0 109.801 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.73 -39.27 84.27 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.841 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.82 -45.8 77.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.117 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 50.6 pttt -66.69 -43.32 84.73 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 50.3 tp10 -53.24 -50.67 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.596 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.14 -50.33 70.86 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.684 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.54 73.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.539 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.84 -23.38 66.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 16.9 t -78.69 3.01 17.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.315 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.14 25.41 24.34 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.92 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.39 145.67 50.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.274 0.537 . . . . 0.0 109.989 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 83.6 p -106.1 -3.46 21.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.372 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.17 150.22 0.4 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.908 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.3 Cg_endo -57.31 -30.83 89.08 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.767 1.645 . . . . 0.0 110.912 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.95 -26.41 61.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.048 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 20.7 p -73.77 -53.62 9.88 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.637 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . 0.428 ' N ' ' OG ' ' A' ' 991' ' ' SER . 1.4 pt20 -64.97 -39.98 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 28.2 mmt180 -64.26 -41.48 96.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.922 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.34 -44.27 95.36 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . 0.403 ' N ' HD21 ' A' ' 995' ' ' ASN . 2.1 m120 -60.25 -41.32 92.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.67 95.84 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.506 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.466 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 55.8 t90 -53.88 -41.28 67.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.247 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.5 -40.16 96.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.34 -48.94 77.61 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.24 -41.2 96.48 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -60.18 -43.02 96.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.332 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.569 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.689 0.28 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.61 -43.53 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.2 -42.07 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.67 -36.3 83.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.87 -45.74 89.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.13 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.2 -37.21 86.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.45 -45.56 92.53 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.473 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.7 t90 -66.13 -47.33 74.43 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.44 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.473 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.8 mm-40 -62.71 -40.26 96.59 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.341 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.31 -36.03 82.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.767 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.0 -36.9 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.446 HD13 HG22 ' A' ' 963' ' ' ILE . 74.8 mt -61.99 -43.57 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -61.08 -41.21 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.663 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.03 -45.56 92.4 Favored 'General case' 0 CA--C 1.533 0.288 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.134 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 40.6 m95 -77.39 -3.41 40.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.328 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 54.32 19.48 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -145.97 146.31 30.97 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.847 0.356 . . . . 0.0 110.15 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -74.26 137.36 42.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.909 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.8 ptm -150.41 153.69 36.42 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.182 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.495 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.6 p -79.84 166.63 21.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 0.0 112.129 -178.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -62.71 -43.72 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.379 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.93 -46.91 64.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -55.05 -45.17 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.35 -44.75 96.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 109.88 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.83 -42.46 97.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.277 0.561 . . . . 0.0 110.054 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.78 -35.98 81.62 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.863 -0.735 . . . . 0.0 109.256 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.96 -45.52 77.48 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -67.01 -42.58 84.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.51 -51.17 69.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.043 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.43 -47.84 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.632 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.82 76.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.947 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.11 -22.53 66.4 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.346 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.7 t -78.83 -2.2 38.55 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.35 27.81 12.66 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.508 -0.377 . . . . 0.0 112.406 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.84 48.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.28 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 32.2 t -99.58 -2.37 35.85 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.45 148.97 0.4 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.927 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.401 ' C ' ' HE ' ' A' ' 993' ' ' ARG . 22.8 Cg_endo -60.23 -30.13 90.53 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.007 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . 0.456 ' OD1' ' NH2' ' A' ' 993' ' ' ARG . 74.2 m-20 -71.68 -33.15 68.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -50.61 39.62 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.206 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.06 96.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.63 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 990' ' ' ASP . 82.6 mtm180 -63.84 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -61.99 -45.58 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.274 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 995' ' ' ASN . 0.8 OUTLIER -61.94 -41.52 98.05 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.489 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.02 93.46 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -53.74 -41.23 66.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.49 -46.7 84.94 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.733 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.45 -40.73 92.2 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -59.03 -43.95 91.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.326 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.779 0.323 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -58.66 -39.62 81.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.039 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -69.31 -39.87 78.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.2 -37.92 81.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.182 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.86 -43.76 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.063 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.28 -38.34 90.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.391 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.46 -44.15 91.97 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.455 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 24.7 t90 -62.76 -47.7 82.39 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.043 0.449 . . . . 0.0 110.201 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.455 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 92.7 mm-40 -64.55 -38.5 91.24 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.515 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.34 -38.73 91.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.52 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 5.4 tt -68.47 -37.46 77.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.44 -43.46 96.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -58.44 -42.09 86.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.11 -40.66 98.27 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -74.52 -3.16 29.17 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 53.62 34.74 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.746 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 969' ' ' GLU . 10.7 ptmm? -153.39 -146.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' A' ' 968' ' ' LYS . 16.2 tm-20 -141.39 137.32 32.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -145.71 -171.93 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.732 179.049 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.516 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 73.0 p -117.96 163.46 16.54 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.03 0.443 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.8 t -59.7 -43.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.617 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -53.6 -44.01 69.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -60.02 -47.9 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.33 -44.16 95.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -40.34 92.76 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.649 0.738 . . . . 0.0 109.932 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.33 -43.41 81.63 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.404 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.47 -48.22 78.6 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.771 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -65.89 -35.54 80.91 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.1 -54.66 40.29 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.161 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . 0.448 ' O ' ' OG ' ' A' ' 984' ' ' SER . 95.9 mtm-85 -65.23 -43.68 90.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.516 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.15 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.488 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.97 -22.41 65.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 58.4 p -78.23 -3.73 44.18 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.6 28.32 10.5 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.43 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.83 153.46 43.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.04 0.42 . . . . 0.0 110.056 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 86.6 p -107.23 0.95 23.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.422 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 991' ' ' SER . 2.2 p30 -50.02 148.8 5.48 Favored Pre-proline 0 C--N 1.332 -0.168 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -57.85 -33.24 96.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.66 1.573 . . . . 0.0 111.846 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.02 -35.83 80.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 5.4 t -68.1 -52.54 33.86 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.799 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.68 -41.03 92.91 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.189 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.37 -40.12 95.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 109.945 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.19 -44.78 96.75 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -61.46 -41.91 97.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.32 96.01 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.619 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -53.79 -42.17 68.06 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.94 -39.99 96.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.034 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.63 -45.45 92.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -73.37 -31.87 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.398 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.747 -179.645 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.46 -42.94 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.87 -43.95 86.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.203 0.525 . . . . 0.0 110.012 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.37 -37.66 80.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.83 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.05 -44.95 94.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.353 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 957' ' ' ASP . 67.4 t0 -63.69 -38.17 90.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -66.26 -42.88 87.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.429 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -63.85 -47.95 78.7 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.843 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.429 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.7 mm-40 -57.24 -39.56 75.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.433 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.85 -35.86 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.275 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.59 -37.64 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.41 -45.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.97 -39.59 90.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.317 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 57.9 t0 -61.76 -46.71 88.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.275 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 29.3 m95 -76.32 -4.53 42.6 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.864 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 54.34 15.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.99 152.6 39.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.13 138.31 47.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.142 0.496 . . . . 0.0 111.733 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.9 OUTLIER -137.87 -166.31 1.94 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 82.1 p -119.88 156.85 29.93 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.189 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.3 t -62.11 -42.62 95.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -48.63 -48.48 39.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.965 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -62.6 -47.8 82.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.081 0.467 . . . . 0.0 110.675 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.3 -40.67 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -68.63 -38.69 80.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.495 0.664 . . . . 0.0 109.517 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.51 -48.59 76.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.633 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -44.82 69.59 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.202 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -53.22 -52.7 58.06 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.92 -47.61 84.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.03 75.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.429 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.05 -24.77 67.83 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.233 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.96 -2.33 39.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.826 0.346 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.81 24.05 16.49 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.324 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.47 146.64 53.78 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.909 0.355 . . . . 0.0 110.282 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 88.4 p -104.31 -3.06 24.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.6 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -43.1 149.99 0.49 Allowed Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.49 -33.3 97.89 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.51 1.474 . . . . 0.0 110.805 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.81 -38.85 90.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.471 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.8 t -66.18 -51.31 59.0 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.36 -38.65 91.78 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.414 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -39.88 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.44 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -61.22 -41.02 96.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.367 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.74 89.4 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 61.0 t90 -53.79 -41.77 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -39.29 93.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.89 -49.79 76.45 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.47 -42.74 99.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -60.6 -44.89 95.76 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.256 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.074 -178.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.668 0.27 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.16 -41.6 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.13 -41.22 97.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.35 0.595 . . . . 0.0 109.429 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -68.79 -41.3 78.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.644 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.1 -45.19 95.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.902 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -64.37 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.832 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.25 -41.22 97.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.908 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.451 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 18.6 t90 -64.92 -49.51 70.14 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.451 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 95.0 mm-40 -62.94 -39.73 95.5 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.352 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.32 -37.93 89.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.312 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.84 -38.08 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -43.63 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.409 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -60.88 -39.67 90.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.24 -43.74 95.84 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.309 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -75.77 -2.54 30.3 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.946 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 58.76 15.59 3.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.237 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.99 143.87 29.75 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.08 136.74 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.294 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.9 mtm -138.8 -179.75 6.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.813 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.9 p -118.85 164.52 15.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.02 -42.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.282 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -54.58 -48.53 72.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.1 mp0 -60.35 -41.24 93.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.077 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -41.8 89.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.743 0.783 . . . . 0.0 109.124 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.82 -42.17 95.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.25 -48.75 76.89 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.073 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -35.67 81.15 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.483 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' A' ' 984' ' ' SER . 78.4 tt0 -63.04 -53.94 45.88 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.595 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -60.92 -46.15 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.42 85.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 111.173 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 983' ' ' LEU . 1.7 mp -62.61 -26.6 68.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 980' ' ' GLU . 14.5 m -78.02 -3.14 40.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.618 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 88.92 27.24 24.4 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.341 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.87 144.26 56.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.308 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.1 m -90.97 -8.85 48.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -40.66 148.94 0.34 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.4 -30.99 92.09 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.065 1.843 . . . . 0.0 111.327 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -70.16 -31.51 69.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.7 t -71.17 -51.77 22.96 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.265 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.822 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.92 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.84 -45.02 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.061 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.83 -41.83 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.62 94.02 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.466 -0.493 . . . . 0.0 109.903 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -53.63 -41.85 67.16 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.82 -37.79 88.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.77 -40.65 97.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.08 -42.22 98.09 Favored 'General case' 0 N--CA 1.458 -0.057 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -65.22 -44.28 88.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.844 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.687 -178.805 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 . . . . . 0 N--CA 1.459 -0.02 0 CA-C-O 120.721 0.295 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.82 -46.42 84.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -64.12 -42.29 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.85 -37.45 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.145 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.53 -44.58 89.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.118 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.91 -38.24 90.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.176 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.76 -41.69 95.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.536 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.5 t90 -65.48 -46.92 77.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.074 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.536 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 61.1 mm-40 -64.57 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.157 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.16 -38.08 89.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.07 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -67.91 -37.78 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -43.94 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -60.59 -41.25 94.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -61.6 -43.64 98.49 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.612 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.0 m95 -78.18 -3.55 43.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.432 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 53.52 14.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . 0.413 ' HZ1' ' HB3' ' A' ' 966' ' ' TRP . 25.1 pttm -139.1 147.14 41.57 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -76.59 137.74 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 112.03 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.1 ptm -145.91 170.18 17.1 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.411 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.543 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.8 p -92.42 163.72 13.75 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 111.824 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.79 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.623 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.34 -44.25 68.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.543 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.2 mp0 -60.02 -39.11 84.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -62.14 -44.43 96.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.153 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -66.79 -36.5 82.54 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.791 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.44 -46.98 80.83 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 46.2 pttt -69.9 -45.77 66.87 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.514 -0.475 . . . . 0.0 109.867 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 80.4 tt0 -51.02 -51.67 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . 0.408 ' O ' ' OG ' ' A' ' 984' ' ' SER . 4.8 mmp_? -62.29 -47.27 85.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.582 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.62 77.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.124 0.488 . . . . 0.0 111.591 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.79 -26.07 68.47 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.918 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 60.2 p -79.24 -1.23 35.52 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.5 26.1 16.5 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.294 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.5 141.99 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.419 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 67.9 m -98.98 -6.95 27.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.19 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.32 149.47 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -58.95 -31.31 95.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.751 1.634 . . . . 0.0 111.014 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -66.9 -38.4 86.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 4.9 t -69.28 -52.12 30.58 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.13 -38.69 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.344 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -64.22 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.42 -45.52 93.98 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.85 -40.79 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.77 97.18 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 62.0 t90 -54.6 -41.44 69.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.33 -38.91 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.4 -43.89 96.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.21 -42.41 98.55 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -60.85 -42.51 97.95 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.592 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.965 179.431 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -44.25 95.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -65.91 -41.83 90.95 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.47 -40.56 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.64 -42.84 97.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.294 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.37 -39.49 94.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.79 -40.1 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.481 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.4 t90 -65.97 -45.55 81.32 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.481 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 69.4 mm-40 -63.07 -40.01 96.42 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.68 -37.49 87.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.348 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.421 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 3.3 tt -68.32 -37.53 78.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.47 -43.95 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.226 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -62.29 -38.46 89.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.69 -42.8 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.588 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 60.0 m95 -80.28 -1.06 39.21 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.348 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 56.6 14.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.549 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -147.95 156.21 42.41 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.23 148.16 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.257 0.551 . . . . 0.0 112.224 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.588 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 4.8 ptm -153.77 156.76 38.34 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.602 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.648 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 31.8 p -81.72 163.54 22.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.246 0.546 . . . . 0.0 111.665 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.8 t -65.99 -43.32 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.934 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.51 -40.03 65.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.027 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.648 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.0 OUTLIER -59.65 -41.17 89.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -60.62 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.039 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.13 -41.39 98.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.204 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -66.62 -40.57 88.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.95 -45.96 83.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.078 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 7.8 pttp -69.96 -41.6 74.29 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 78.5 tt0 -54.8 -50.05 69.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.11 -44.17 93.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.45 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.85 91.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 983' ' ' LEU . 9.8 mp -69.77 -24.53 63.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 33.1 t -78.79 -4.35 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.93 28.02 14.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.5 151.43 47.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 0.38 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.95 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.66 148.89 4.76 Favored Pre-proline 0 C--N 1.331 -0.217 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.08 -34.82 98.92 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.622 1.548 . . . . 0.0 111.394 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.7 -28.01 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 3.3 t -71.02 -52.86 17.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.419 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.34 -39.59 89.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.642 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -64.83 -39.86 94.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.887 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -62.28 -50.72 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.49 -40.67 79.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.02 75.66 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -56.82 -40.85 76.75 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.83 -40.11 95.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.52 -42.42 99.51 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.786 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.21 -42.08 94.37 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -60.11 -43.14 95.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.464 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -55.65 -42.35 74.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . 0.434 ' O ' ' OE2' ' A' ' 958' ' ' GLU . 47.1 t0 -64.19 -45.79 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.9 -38.69 91.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 110.749 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.179 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.84 -40.3 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.745 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 954' ' ' ASP . 0.7 OUTLIER -66.02 -42.35 89.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.711 -179.499 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.423 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 19.4 t90 -63.73 -51.22 65.94 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.423 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -56.15 -40.05 73.23 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.094 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -64.32 -34.96 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 1.8 tt -65.11 -40.52 89.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.27 -43.83 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.0 -40.93 81.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.615 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -63.43 -45.74 89.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.114 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -81.15 -5.13 57.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.94 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 50.96 21.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -141.33 149.13 40.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.78 0.324 . . . . 0.0 110.241 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.72 140.34 51.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.726 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 971' ' ' THR . 1.3 ppp? -147.1 -170.88 3.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.329 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.661 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 23.4 p -119.97 157.9 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 0.0 111.079 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.17 -42.59 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.437 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -50.46 -49.6 54.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.177 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.661 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.81 -41.65 82.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.445 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.486 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.01 -39.41 92.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.68 -42.06 91.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.09 -48.59 75.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.148 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -69.41 -40.79 77.09 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.15 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.55 -51.59 66.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.221 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.75 -47.74 79.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.753 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.71 66.54 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.408 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.78 -24.61 67.83 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.148 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.74 -3.74 45.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.705 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 97.94 27.29 9.0 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.27 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.77 153.58 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.104 0.452 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 19.2 m -111.7 -5.0 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.088 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -44.67 150.1 0.72 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.878 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -33.14 96.69 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.86 1.707 . . . . 0.0 111.525 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.17 -34.36 77.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.643 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.4 t -70.89 -51.91 23.35 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.838 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.52 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.458 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.08 -38.11 89.69 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.3 -44.68 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.578 . . . . 0.0 109.93 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -60.24 -41.31 92.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.06 95.73 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.597 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -53.21 -41.37 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.98 -40.41 97.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.48 -42.71 99.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.834 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.89 -41.86 98.39 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -61.05 -45.27 95.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.648 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.862 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.666 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -60.16 -44.5 94.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.82 -40.44 88.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 0.0 110.377 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.91 -40.35 94.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.072 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -60.01 -43.89 94.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.36 -39.74 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.105 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -65.61 -39.28 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.949 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.568 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 30.1 t90 -62.09 -47.99 82.19 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.568 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 60.8 mm-40 -58.38 -38.91 78.26 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.852 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.9 -35.73 81.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.18 -40.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.82 -43.48 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -57.2 -42.78 81.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 997' ' ' TRP . 17.7 t70 -61.8 -43.78 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.029 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 45.0 m95 -77.81 -3.06 39.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.067 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 49.92 20.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.536 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.01 153.36 41.4 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -76.1 130.55 38.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.578 . . . . 0.0 111.749 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.418 ' SD ' ' C ' ' A' ' 970' ' ' MET . 3.5 ppp? -145.82 154.85 42.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.944 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.479 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 65.6 p -83.13 167.31 17.91 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -177.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.5 -43.35 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.876 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.31 -46.33 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.56 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -52.74 -44.89 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -61.32 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.82 -37.9 86.14 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.309 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.4 tp -62.57 -49.08 76.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.462 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 10.2 ptmm? -68.13 -43.99 77.09 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.02 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 81.2 tt0 -53.15 -49.62 66.23 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.302 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.01 -48.69 75.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.59 -50.55 72.16 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.587 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.03 -25.91 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.507 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 11.9 t -78.05 0.22 25.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.853 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.9 29.09 21.7 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.889 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.85 145.73 53.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.117 0.484 . . . . 0.0 110.999 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 -4.04 35.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.2 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.48 150.85 0.49 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.29 -29.99 87.14 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.925 1.75 . . . . 0.0 111.436 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.45 -28.71 61.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.498 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.0 t -70.8 -49.7 43.61 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.0 94.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.34 -37.07 85.85 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -59.88 -43.09 94.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.14 93.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.554 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.405 ' CD1' ' OD1' ' A' ' 965' ' ' ASP . 71.3 t90 -55.61 -41.53 73.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.57 -40.74 97.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.33 -43.43 96.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.56 -43.41 97.29 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.54 -42.9 88.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.668 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -56.46 -45.05 81.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.103 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.29 -45.53 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 111.011 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -65.59 -38.46 89.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.256 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.94 -42.03 97.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -63.97 -34.93 79.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.235 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.2 -42.46 88.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.5 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 27.7 t90 -64.28 -48.31 76.17 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.419 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 93.5 mm-40 -63.66 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.586 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.04 -39.74 95.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.497 ' CD1' ' CE3' ' A' ' 997' ' ' TRP . 1.0 OUTLIER -68.09 -38.08 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.5 -44.19 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.553 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.02 -42.07 93.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.15 -46.52 90.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.522 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.6 m95 -76.71 -3.24 37.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.398 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 53.49 17.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.355 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -141.1 151.05 43.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.12 132.23 35.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.264 0.554 . . . . 0.0 112.394 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.9 ptm -138.03 144.95 41.27 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.552 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.7 p -77.6 166.5 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.706 0.765 . . . . 0.0 112.102 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.97 -42.45 96.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.747 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -55.25 -41.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.974 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.39 -37.73 84.46 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.26 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 976' ' ' LEU . 4.1 mm? -62.27 -42.56 99.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.025 0.44 . . . . 0.0 109.84 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 977' ' ' ASP . 67.0 t0 -67.85 -39.43 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.279 0.562 . . . . 0.0 110.449 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.07 -44.78 87.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.893 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 8.0 pttp -69.23 -44.79 71.31 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 84.8 tt0 -51.0 -51.48 52.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.753 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.24 -45.56 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.519 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.31 -51.95 65.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.59 -23.83 67.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.024 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 2.4 t -79.03 -1.62 36.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.19 25.43 19.32 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.936 -0.465 . . . . 0.0 111.936 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.14 146.51 54.56 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.299 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 100.0 p -109.19 2.07 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.157 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.71 150.51 2.5 Favored Pre-proline 0 C--N 1.333 -0.128 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.39 -41.07 80.1 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 121.187 1.258 . . . . 0.0 111.327 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.271 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 50.6 m -65.4 -50.67 64.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.97 -35.87 81.75 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.982 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.43 -39.55 94.04 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.71 -46.89 87.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.123 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -42.18 91.78 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.4 96.51 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.392 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.497 ' CE3' ' CD1' ' A' ' 962' ' ' ILE . 73.4 t90 -53.09 -40.71 64.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.85 -40.68 98.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.07 -46.18 82.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.716 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.12 -42.5 94.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -60.02 -43.17 95.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.764 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.183 -179.821 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.457 -0.102 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.59 -44.14 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.155 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -43.15 95.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.07 -41.52 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -63.24 -40.7 98.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.311 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.33 -35.91 81.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.526 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 32.7 t90 -65.83 -44.1 86.59 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.526 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.3 mm-40 -65.6 -38.03 88.3 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.823 178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -66.22 -37.16 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.49 -37.18 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.44 -44.95 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -60.84 -40.45 92.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.1 -46.64 82.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.384 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 21.0 m95 -82.46 -4.49 57.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 49.88 20.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -137.7 151.79 48.6 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -77.42 144.0 38.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 111.209 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.7 OUTLIER -152.03 162.48 41.03 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 179.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.563 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 80.4 p -86.85 161.47 18.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.138 0.494 . . . . 0.0 111.658 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.67 -42.9 93.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.644 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.07 -44.59 79.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.186 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.563 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -58.87 -42.41 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.5 -44.46 96.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.161 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -38.98 87.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.69 0.757 . . . . 0.0 109.062 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.126 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.42 -47.21 82.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.097 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -41.67 76.07 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.33 -46.89 73.0 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.141 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.32 -47.48 79.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.81 -48.4 76.98 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 111.68 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -25.93 67.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 23.0 t -79.0 -1.1 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.13 29.02 18.81 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.17 151.33 43.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 9.8 t -109.31 -9.85 14.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.804 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 991' ' ' SER . 1.5 p30 -50.13 148.87 5.6 Favored Pre-proline 0 N--CA 1.463 0.184 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.432 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.17 -33.03 95.14 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.865 1.71 . . . . 0.0 112.152 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.5 -35.84 82.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' SER . . . . . 0.52 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 20.7 m -70.98 -53.34 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.235 -178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.25 -38.47 91.29 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.427 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 22.0 mmt85 -62.56 -41.5 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.86 -47.06 88.12 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.53 -40.73 79.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.19 94.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.911 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 53.8 t90 -54.33 -41.83 69.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.41 -40.89 98.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.77 -44.9 95.97 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.331 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.76 -42.26 98.75 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -59.55 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.928 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.63 -46.12 87.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.548 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.89 -42.71 97.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.443 . . . . 0.0 110.177 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.05 -37.05 80.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.2 -42.89 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.549 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.24 -36.98 85.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.894 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.1 -41.16 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.361 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.504 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 27.5 t90 -65.21 -46.45 80.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.504 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.0 mm-40 -64.2 -36.26 83.48 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.882 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.01 -38.37 90.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 2.9 tt -68.86 -38.16 78.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 963' ' ' ILE . 89.1 mt -61.33 -43.36 96.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -60.69 -40.64 92.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.287 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.09 -46.04 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -78.25 -3.49 43.08 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 50.84 24.21 1.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.15 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.86 -137.32 0.16 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -145.09 143.72 30.56 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.411 0.624 . . . . 0.0 111.588 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.08 158.37 30.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.739 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 76.4 p -86.02 165.9 16.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.482 0.658 . . . . 0.0 112.535 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.68 -43.32 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.859 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.25 -40.49 64.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.247 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.1 OUTLIER -60.35 -41.66 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.78 -44.29 97.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.336 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -40.95 92.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.34 -42.48 92.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.973 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.28 -46.69 82.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.356 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 17.3 ptmt -69.67 -42.14 74.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.025 0.44 . . . . 0.0 110.158 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 44.5 tt0 -57.05 -50.99 71.06 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.339 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -63.65 -47.78 79.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.297 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.85 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.621 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.9 -21.41 66.0 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 28.0 t -79.1 -2.3 39.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.428 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.21 25.84 15.59 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.72 147.11 52.3 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.0 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.4 p -102.94 -1.37 29.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.039 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -46.89 150.32 1.34 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.804 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.36 -29.75 89.5 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 121.909 1.74 . . . . 0.0 111.223 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -71.21 -32.07 68.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.6 t -69.84 -51.1 36.37 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.274 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.29 -38.29 90.56 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -60.73 -43.54 97.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -60.37 -41.15 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.27 96.51 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.799 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -54.25 -42.17 69.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.07 -39.5 94.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.96 -42.43 97.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.39 -42.13 95.27 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -61.85 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.633 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.783 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 953' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 1.6 p30 -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.834 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 954' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 38.1 t70 -65.64 -39.92 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.258 0.551 . . . . 0.0 109.988 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.43 -38.1 80.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.9 -44.05 91.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.052 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -62.45 -39.71 94.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.36 -39.2 92.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 959' ' ' TRP . . . . . 0.412 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.1 t90 -64.24 -48.95 73.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.64 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 960' ' ' GLN . . . . . 0.412 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 82.7 mm-40 -61.96 -36.67 82.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.246 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.95 -37.59 86.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.576 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 962' ' ' ILE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 997' ' ' TRP . 4.0 tp -70.43 -37.96 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.035 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -42.85 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.19 -41.0 92.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.288 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.16 -42.45 94.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.241 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -74.54 -1.91 23.5 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.255 0.55 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 55.87 26.82 10.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.179 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -147.3 -152.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.84 136.25 54.26 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.762 0.315 . . . . 0.0 111.216 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 6.5 mtm -136.89 -173.07 3.34 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.179 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 43.0 p -118.83 159.16 24.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.86 -43.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -52.79 -49.05 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.42 -45.47 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.49 -44.65 96.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.76 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -43.24 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.58 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 977' ' ' ASP . 65.3 t0 -66.49 -35.3 79.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.11 0.481 . . . . 0.0 110.21 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.55 -46.47 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.063 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.62 -41.85 71.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.92 -47.72 74.02 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.399 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -64.95 -45.14 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.94 67.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 111.276 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.76 -22.29 66.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.641 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 27.0 t -79.58 -1.98 40.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.57 17.18 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.44 147.98 52.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 111.022 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 58.4 m -103.7 -5.59 22.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.746 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -45.98 148.19 1.51 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.21 -32.96 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.764 1.642 . . . . 0.0 111.343 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.46 -27.76 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.163 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 36.9 m -71.69 -50.49 29.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -39.57 88.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -62.58 -41.78 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.042 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -62.09 -44.46 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.59 -42.33 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.614 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 997' ' ' TRP . . . . . 0.434 ' CD2' ' CD1' ' A' ' 962' ' ' ILE . 68.3 t90 -53.29 -41.34 65.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.94 -40.05 95.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.3 -47.66 83.29 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.89 -40.17 94.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -60.29 -47.62 85.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.275 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.088 -179.766 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 948' ' ' ALA . . . 51.64 -173.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.313 . . . . 0.0 110.369 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 23.5 mmt 42.64 24.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 946' ' ' ALA . . . -62.4 149.84 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.086 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 34.8 pt -64.46 139.46 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.512 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -123.36 25.65 8.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.37 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.98 149.94 44.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.211 0.529 . . . . 0.0 110.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -74.64 172.93 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.43 -45.65 92.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -67.47 -40.98 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 0.0 110.651 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.0 -38.8 92.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.792 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.18 -44.28 92.16 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.85 -39.34 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.745 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.29 -43.72 93.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.235 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.407 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.1 t90 -65.56 -46.77 78.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.156 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.407 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.8 mm-40 -64.03 -37.07 86.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.226 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.84 -36.95 81.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.06 -39.04 83.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 967' ' ' ARG . 78.1 mt -60.66 -43.37 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.283 178.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -57.87 -40.52 80.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.29 -44.67 96.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.376 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -85.36 -4.89 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 963' ' ' ILE . 91.0 mtt-85 50.88 15.8 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.636 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -134.95 135.67 41.67 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.15 128.01 34.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.029 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 971' ' ' THR . 2.5 ppp? -125.52 162.0 25.89 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.078 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.544 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 25.7 p -86.03 155.04 21.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.275 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.64 -42.02 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.405 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -52.36 -48.59 65.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.544 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.21 -42.5 81.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.102 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -60.2 -45.32 93.57 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.218 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.95 -40.06 94.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.246 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -64.91 -41.86 95.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.79 -48.85 72.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.937 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 39.9 pttt -67.75 -42.58 81.58 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.2 tt0 -52.01 -52.42 50.82 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.942 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.85 -44.86 88.39 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.617 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.87 71.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.076 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 983' ' ' LEU . 6.1 mp -65.58 -24.78 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 29.5 t -78.26 3.64 14.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.75 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.05 28.68 25.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.65 145.75 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.977 0.389 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 49.8 m -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.938 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -43.66 148.85 0.67 Allowed Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.03 -31.58 91.26 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.916 1.744 . . . . 0.0 111.55 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.22 -27.68 63.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.636 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 2.4 t -73.02 -52.78 13.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.511 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -37.58 87.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -65.97 -39.15 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.25 -46.3 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.241 0.543 . . . . 0.0 109.839 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -59.27 -39.41 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.04 95.9 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.35 -39.42 70.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.35 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.33 -44.22 88.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.5 -43.3 99.12 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -58.74 -41.33 86.24 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.791 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -71.98 -34.93 69.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -79.91 102.89 9.44 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.338 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.05 159.3 14.99 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.913 0.387 . . . . 0.0 110.044 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.966 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 948' ' ' ALA . . . -65.37 146.57 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.389 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 56.1 mtm 41.85 24.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.961 0.41 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 946' ' ' ALA . . . -75.48 1.16 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.741 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.072 0.463 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . 61.05 25.57 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 950' ' ' ALA . 6.9 mp 54.18 167.04 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.093 0.473 . . . . 0.0 110.199 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.37 166.26 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.065 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.45 -39.7 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.079 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.58 -42.55 78.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.053 0.454 . . . . 0.0 109.923 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -68.84 -37.67 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.415 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.8 -42.59 89.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.17 -38.31 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.37 -44.16 88.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.422 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -61.32 -49.29 77.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.442 . . . . 0.0 109.868 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.422 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.9 mm-40 -61.93 -37.05 83.23 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.36 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -65.23 -36.0 82.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.2 tp -69.92 -38.54 75.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.11 -42.53 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . 0.542 HH22 HH12 ' A' 1004 ' ' ARG . 73.1 ttp85 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.34 -42.9 96.66 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.608 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -76.99 -0.63 25.16 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.926 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 52.29 42.62 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -162.48 -157.48 0.46 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -118.67 134.64 54.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.925 0.393 . . . . 0.0 111.223 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.5 mtm -136.48 -174.82 3.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.475 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.455 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 21.6 p -120.13 157.05 29.8 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.992 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.18 -44.46 52.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.646 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.03 -44.22 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -44.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -40.95 95.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -67.3 -37.97 84.24 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.61 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.25 -46.66 79.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.101 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 47.9 pttt -69.24 -44.2 72.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 37.7 tp10 -53.66 -51.83 61.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -64.62 -44.51 90.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.018 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.69 65.19 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.41 -22.52 66.23 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.727 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 18.2 t -79.4 -3.63 47.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.506 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.74 29.57 9.14 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.55 148.35 48.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 99.3 p -104.95 -2.25 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.05 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.82 152.41 1.79 Allowed Pre-proline 0 CA--C 1.531 0.213 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.85 -34.04 98.86 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.855 1.703 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.93 -34.01 76.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.701 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.6 t -69.41 -48.0 62.4 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.0 78.31 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.874 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.33 -39.93 95.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -62.13 -43.07 99.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.779 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -59.21 -42.56 91.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.75 97.81 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.374 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -53.62 -40.6 65.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.64 -40.46 97.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -63.51 -43.04 98.33 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.2 -41.87 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -60.58 -46.26 90.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.598 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.43 69.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.407 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -72.87 -44.75 60.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.483 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.542 HH12 HH22 ' A' ' 964' ' ' ARG . 41.5 ptt180 -85.29 30.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.119 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 2.2 tp -56.93 99.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 0.0 110.424 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.62 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.91 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.527 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 93.7 mtp 43.7 43.75 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.589 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -140.15 91.4 2.45 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.537 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 15.9 pt -121.25 145.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.219 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -86.4 23.83 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.26 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 950' ' ' ALA . 9.9 mp 55.24 157.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.167 0.508 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -88.85 164.08 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.642 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -45.75 81.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.2 -42.96 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.09 -38.49 88.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.171 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.61 -44.08 93.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.187 0.518 . . . . 0.0 109.784 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.42 -37.8 87.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.729 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.84 -38.84 89.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.927 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.467 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.4 t90 -62.22 -48.05 81.72 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.467 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -63.44 -36.99 85.56 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.99 -39.18 93.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.74 -37.82 78.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.28 -43.43 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.294 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.81 -40.32 92.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.441 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 71.5 m95 -75.13 -3.78 34.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.044 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 55.7 20.17 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.579 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -149.28 141.59 24.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.17 135.17 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.735 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 10.2 mtm -132.35 -172.78 2.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.889 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 59.5 p -118.88 160.45 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.904 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.8 -43.2 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -50.18 -48.59 53.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.648 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.553 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.3 OUTLIER -57.24 -48.1 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.15 -43.5 98.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.272 0.558 . . . . 0.0 110.283 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.25 -43.25 96.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.395 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -67.5 -35.68 79.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.596 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.43 -47.2 80.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.556 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -69.16 -37.12 78.06 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.07 -50.23 74.85 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . 0.474 ' C ' ' HG ' ' A' ' 984' ' ' SER . 99.6 mtt180 -63.48 -46.62 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.393 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.61 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 111.205 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.82 -21.79 65.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.474 ' HG ' ' C ' ' A' ' 981' ' ' ARG . 96.6 p -79.6 -3.34 46.59 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.469 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.98 29.4 8.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.97 149.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.05 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -112.84 -0.95 14.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.98 150.69 5.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.85 -32.02 93.93 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.733 1.622 . . . . 0.0 111.486 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.25 -32.88 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.091 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 66.8 m -70.58 -52.98 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.22 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.18 -39.3 92.71 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.661 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 17.9 mmm180 -62.76 -39.07 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.09 -47.16 87.59 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.27 -40.98 87.76 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.55 93.95 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -53.46 -42.38 67.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.24 -47.6 83.66 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.415 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.06 -42.27 94.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1001 ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' 1004 ' ' ARG . 69.4 ttt-85 -62.36 -44.03 97.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.309 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -56.69 -35.24 68.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.23 -39.29 63.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.67 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' 1001 ' ' ARG . 42.5 ptt85 -123.87 124.38 42.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.146 0.498 . . . . 0.0 111.044 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' 1005 ' ' LEU . 0.6 OUTLIER -174.59 171.51 3.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.117 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.375 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -153.59 -164.92 2.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 948' ' ' ALA . 69.1 mmm -66.01 -41.8 90.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 947' ' ' MET . . . 42.4 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.599 178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 949' ' ' ILE . 43.9 pt -135.54 149.66 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.034 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -151.0 42.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.402 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 950' ' ' ALA . 7.1 mp 55.68 157.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.32 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -70.89 173.6 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.139 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.71 -44.76 96.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.17 -42.89 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.802 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.28 -42.45 88.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.168 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.31 -43.87 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 110.132 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.42 -37.43 87.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -66.1 -40.55 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.077 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.498 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.5 t90 -63.13 -45.97 89.44 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.871 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.498 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.6 mm-40 -64.63 -38.08 89.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.984 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.43 -37.67 87.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -40.13 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.98 -43.6 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.185 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -60.14 -38.82 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.59 -44.97 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.496 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -74.2 -2.33 24.3 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.554 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 52.6 30.8 9.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.011 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -146.1 -149.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.12 141.42 44.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -154.44 175.57 13.42 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.632 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 37.3 p -95.92 162.86 13.39 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.532 0.682 . . . . 0.0 112.465 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.46 -42.59 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.184 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.54 -41.81 73.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.371 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.632 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.2 OUTLIER -62.86 -39.68 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.947 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.46 -44.83 95.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.91 -38.59 88.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.671 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.99 -37.64 88.31 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.696 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.97 -47.31 75.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.248 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 19.1 pttm -66.91 -44.99 79.32 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.8 tt0 -53.94 -45.91 71.38 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.566 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -63.29 -47.24 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.86 -47.27 78.51 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.172 0.511 . . . . 0.0 111.219 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.39 -26.01 68.55 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.411 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 1.8 t -79.14 0.13 29.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.822 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.61 29.28 16.71 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.38 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.53 145.49 53.97 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 4.6 t -100.99 -5.48 25.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -42.37 151.21 0.37 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.97 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -59.51 -30.05 91.51 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.378 1.385 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.23 -27.41 62.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.045 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 16.3 p -71.06 -53.96 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . 0.436 ' N ' ' OG ' ' A' ' 991' ' ' SER . 0.2 OUTLIER -64.78 -42.19 95.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.214 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.8 -38.02 89.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.43 -45.25 95.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.063 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.32 -43.11 99.41 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 0.0 109.395 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.84 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.171 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -53.17 -41.15 64.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.44 -42.36 99.4 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.41 -45.93 92.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.53 -41.53 90.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -64.39 -40.8 96.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.605 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.27 62.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.63 -34.7 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.406 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.7 -38.73 82.42 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.79 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.48 137.86 58.26 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.234 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.507 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -72.83 141.81 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 58.4 ttm -93.27 78.94 4.47 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -73.81 -50.02 22.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.845 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 951' ' ' LEU . 20.5 pt -69.81 -45.8 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 60.36 1.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 949' ' ' ILE . 9.6 mp -75.89 142.88 42.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.315 0.578 . . . . 0.0 110.811 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -83.38 175.07 10.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.067 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 40.8 p-10 -63.49 -36.23 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.032 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 56.5 t0 -71.6 -41.12 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.303 0.573 . . . . 0.0 109.739 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.7 -38.56 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.632 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.66 -43.96 90.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.65 -38.39 87.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.068 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.77 -40.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.488 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 27.1 t90 -63.25 -43.52 97.77 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.488 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.1 mm-40 -65.15 -34.8 79.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.023 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -64.51 -39.52 93.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.6 tp -68.89 -36.52 74.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.13 -43.3 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.02 -42.42 94.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.553 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 82.1 m-20 -64.48 -40.52 95.83 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.054 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.527 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 80.4 m95 -73.92 -0.06 14.94 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.847 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 55.52 14.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.03 152.2 33.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.427 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -76.91 132.93 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 3.5 ptm -137.28 -166.98 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 81.1 p -116.13 164.86 13.85 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.357 0.598 . . . . 0.0 111.82 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.68 -42.57 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.731 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -49.89 -48.55 51.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -57.98 -46.01 85.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.469 . . . . 0.0 109.748 179.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.61 -48.33 79.88 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.113 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.5 -45.45 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.139 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.62 -47.4 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.143 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -70.53 -39.67 73.91 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.852 0.358 . . . . 0.0 110.148 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.72 -50.25 73.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.99 -43.69 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.29 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.994 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 983' ' ' LEU . 10.3 mp -68.54 -27.08 65.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 38.3 t -77.82 -1.05 29.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.964 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.95 30.05 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.404 -0.426 . . . . 0.0 112.184 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.83 144.88 56.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.203 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -107.65 0.88 22.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.41 151.04 0.78 Allowed Pre-proline 0 C--O 1.226 -0.148 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.67 -41.95 70.32 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 121.522 1.482 . . . . 0.0 111.157 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -67.11 -36.03 81.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.792 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 62.0 m -64.93 -53.12 51.35 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.28 -39.26 92.33 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.198 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.93 -40.21 96.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.86 -45.3 95.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.19 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.56 -41.54 90.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.266 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.553 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 61.5 t90 -54.0 -41.05 67.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.189 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -39.19 89.57 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -62.51 -41.84 99.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.434 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.76 -42.83 97.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.414 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -72.76 -33.42 66.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.469 -0.892 . . . . 0.0 109.782 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.47 92.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 49.3 pttt -78.2 -31.68 49.59 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.23 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -87.47 108.17 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.752 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' 1006 ' ' SER . 10.6 mp -100.28 137.22 39.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1006 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1005 ' ' LEU . 79.6 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.862 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -171.46 109.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 8.0 tpp -87.74 72.47 9.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.369 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -98.78 -56.54 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.23 156.87 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 110.54 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -57.13 -12.84 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.201 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.67 135.89 36.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -74.25 168.72 19.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.04 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 30.4 p-10 -61.48 -37.21 82.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.181 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 66.1 t0 -71.23 -39.45 71.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.723 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -66.25 -40.61 90.3 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.976 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -59.58 -42.99 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.19 -36.1 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.793 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.02 -36.17 81.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.373 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.525 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 29.4 t90 -67.93 -47.69 68.0 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 109.863 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.525 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.3 mm-40 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.229 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.266 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 1.8 tt -67.07 -38.06 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.0 -43.58 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.87 -42.38 89.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.535 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 43.0 m-20 -62.37 -43.08 99.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.032 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -78.1 -4.83 49.35 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.79 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 51.38 40.22 26.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -152.78 -132.55 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.755 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -152.07 145.35 24.71 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.027 0.441 . . . . 0.0 111.137 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -153.93 -171.24 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.462 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.607 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 72.0 p -118.6 161.09 20.63 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.146 0.498 . . . . 0.0 110.809 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 18.0 t -60.34 -43.44 93.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.542 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -54.7 -44.12 73.13 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.17 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.607 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.5 OUTLIER -59.5 -42.62 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.46 -45.94 90.76 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.59 -39.98 95.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.472 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.16 -37.64 81.23 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.686 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.76 -47.95 76.31 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -68.18 -40.46 82.26 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 984' ' ' SER . 80.7 tt0 -54.53 -49.01 71.26 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.253 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.31 -43.63 90.42 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.391 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.56 76.14 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.023 0.439 . . . . 0.0 111.085 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.18 -22.1 65.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.832 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 980' ' ' GLU . 58.5 m -79.51 -3.35 46.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.22 25.01 17.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.79 151.14 46.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.876 0.338 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 91.6 p -109.47 -2.28 17.79 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.788 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -48.72 149.95 2.8 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 17.8 Cg_endo -57.72 -36.9 98.24 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 C-N-CA 121.396 1.398 . . . . 0.0 111.552 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -68.22 -30.98 70.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 71.6 m -68.66 -54.11 18.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.797 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -67.46 -37.59 83.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 6.7 mmp_? -62.91 -40.49 97.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.34 -46.76 87.23 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -58.75 -41.19 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.0 96.54 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.885 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.535 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 51.1 t90 -55.83 -40.85 73.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.4 -40.43 97.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.08 -45.88 91.43 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.351 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.33 -40.18 96.59 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.33 0.586 . . . . 0.0 109.726 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -61.28 -45.82 92.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.06 71.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.728 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.19 -43.0 88.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -90.45 120.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.276 0.56 . . . . 0.0 110.169 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' 1005 ' ' LEU . 10.5 mp -101.1 3.54 41.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.619 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 50.52 45.87 26.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 80.9 mmm -77.4 11.86 1.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.01 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -62.09 -28.86 69.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 33.9 pt -70.39 138.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.579 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -153.62 45.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.814 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.44 149.49 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.248 0.547 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -88.62 174.82 7.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.645 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 41.1 p-10 -62.29 -38.37 89.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.513 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 8.9 p-10 -72.5 -37.94 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.879 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -69.46 -40.86 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -61.95 -43.65 98.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.25 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -66.18 -39.81 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.216 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.483 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 26.7 t90 -65.58 -46.33 79.8 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.149 0.499 . . . . 0.0 110.121 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.483 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.4 mm-40 -63.97 -38.98 93.05 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.189 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -65.32 -36.71 84.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.188 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.439 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 2.4 tt -68.98 -38.73 78.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.02 -43.8 96.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.858 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -63.07 -38.72 92.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.525 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -58.45 -44.92 89.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.865 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.517 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 43.7 m95 -76.8 -3.25 37.39 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.86 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.36 17.25 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.125 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -132.44 -141.9 0.21 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 969' ' ' GLU . 1.9 pm0 -144.15 130.71 20.02 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.713 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.517 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 5.8 ptm -140.66 147.37 39.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.069 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.5 p -79.55 168.64 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.28 0.562 . . . . 0.0 111.92 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.5 -44.26 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.074 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -54.31 -40.52 68.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -61.6 -45.03 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.576 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.59 -35.47 79.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -67.61 -35.84 79.71 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.13 -45.36 77.36 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.038 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 43.8 pttt -66.81 -44.34 81.44 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 85.3 tt0 -56.14 -50.78 70.17 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.313 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . 0.434 ' O ' ' OG ' ' A' ' 984' ' ' SER . 99.7 mtt180 -62.85 -47.1 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.848 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.66 -49.25 73.96 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.795 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.43 -26.35 68.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.323 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 90.1 p -78.37 -0.84 30.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 92.07 27.42 16.19 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.129 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.2 142.05 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 45.0 m -97.26 -4.74 38.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -43.18 150.04 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.07 -32.69 91.98 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.577 1.518 . . . . 0.0 110.749 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -65.46 -42.07 92.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.929 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.3 t -63.4 -51.09 67.27 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . 0.52 HE21 ' C ' ' A' ' 992' ' ' GLN . 0.0 OUTLIER -67.93 -37.41 81.61 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.11 -179.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.35 -39.44 94.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -61.61 -44.34 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.712 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -61.12 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.82 86.33 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.525 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 53.9 t90 -55.36 -41.3 72.36 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.51 -38.89 92.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.09 99.68 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.955 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.29 -43.94 95.83 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1004 ' ' ARG . 53.2 ttt85 -62.45 -43.16 99.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.833 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.02 66.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -73.09 -43.29 62.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.778 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1001 ' ' ARG . 53.5 ptt85 -106.43 122.15 45.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.382 0.61 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 10.1 mp -110.69 139.07 46.3 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.177 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -170.23 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 63.7 mtt 45.59 42.51 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.986 0.422 . . . . 0.0 110.416 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -159.34 -90.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.357 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 949' ' ' ILE . 26.0 mm -99.17 128.9 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -87.1 25.99 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.81 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 950' ' ' ALA . 6.7 mp 52.63 171.5 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 110.275 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -91.71 167.43 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.07 -40.16 92.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 18.1 p-10 -72.73 -43.56 62.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.462 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.6 -40.96 98.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.037 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -60.23 -44.2 95.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.56 -41.56 98.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.206 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 958' ' ' GLU . 0.2 OUTLIER -63.76 -37.67 88.23 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.47 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.4 t90 -63.73 -48.4 77.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.166 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.47 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 87.6 mm-40 -65.41 -38.38 89.76 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.651 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -66.2 -36.03 81.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 1.8 tt -68.85 -38.99 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.27 -42.6 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.393 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.38 -41.58 85.13 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.466 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 40.8 t0 -64.34 -44.34 91.76 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.634 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -75.33 -2.18 27.14 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 52.76 14.92 0.47 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -137.15 140.31 41.75 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.25 137.05 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 111.984 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 11.6 mtm -134.92 -177.14 4.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.996 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.458 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 43.2 p -118.76 160.51 21.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.423 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.417 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.98 -40.56 63.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.907 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -62.59 -43.34 99.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.08 -45.63 92.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.817 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.0 -39.03 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.296 0.569 . . . . 0.0 109.801 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.73 -39.27 84.27 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.841 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.82 -45.8 77.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.117 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 50.6 pttt -66.69 -43.32 84.73 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 50.3 tp10 -53.24 -50.67 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.596 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.14 -50.33 70.86 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.684 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.54 73.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.539 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.84 -23.38 66.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 16.9 t -78.69 3.01 17.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.315 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.14 25.41 24.34 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.92 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.39 145.67 50.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.274 0.537 . . . . 0.0 109.989 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 83.6 p -106.1 -3.46 21.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.372 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.17 150.22 0.4 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.908 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.3 Cg_endo -57.31 -30.83 89.08 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.767 1.645 . . . . 0.0 110.912 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.95 -26.41 61.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.048 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 20.7 p -73.77 -53.62 9.88 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.637 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . 0.428 ' N ' ' OG ' ' A' ' 991' ' ' SER . 1.4 pt20 -64.97 -39.98 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 28.2 mmt180 -64.26 -41.48 96.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.922 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.34 -44.27 95.36 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . 0.403 ' N ' HD21 ' A' ' 995' ' ' ASN . 2.1 m120 -60.25 -41.32 92.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.67 95.84 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.506 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.466 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 55.8 t90 -53.88 -41.28 67.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.247 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.5 -40.16 96.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.34 -48.94 77.61 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.24 -41.2 96.48 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -60.18 -43.02 96.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.332 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.9 -35.57 73.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.22 -37.15 63.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.076 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' 1005 ' ' LEU . 32.1 mmt180 -61.79 -35.43 78.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.938 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' 1004 ' ' ARG . 7.4 mp 61.09 146.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.92 -179.606 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -79.55 -160.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.44 -40.88 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.19 0.519 . . . . 0.0 109.867 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . 50.53 -165.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.53 ' C ' ' H ' ' A' ' 951' ' ' LEU . 34.7 pt -66.97 -26.34 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 74.15 -24.06 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 949' ' ' ILE . 10.9 mp -78.96 146.72 33.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.125 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -72.36 171.56 11.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.61 -43.53 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.2 -42.07 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.67 -36.3 83.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.87 -45.74 89.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.13 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.2 -37.21 86.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.45 -45.56 92.53 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.473 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.7 t90 -66.13 -47.33 74.43 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.44 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.473 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.8 mm-40 -62.71 -40.26 96.59 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.341 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.31 -36.03 82.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.767 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.0 -36.9 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.446 HD13 HG22 ' A' ' 963' ' ' ILE . 74.8 mt -61.99 -43.57 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -61.08 -41.21 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.663 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.03 -45.56 92.4 Favored 'General case' 0 CA--C 1.533 0.288 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.134 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 40.6 m95 -77.39 -3.41 40.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.328 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 54.32 19.48 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -145.97 146.31 30.97 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.847 0.356 . . . . 0.0 110.15 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -74.26 137.36 42.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.909 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.8 ptm -150.41 153.69 36.42 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.182 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.495 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.6 p -79.84 166.63 21.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 0.0 112.129 -178.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -62.71 -43.72 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.379 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.93 -46.91 64.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -55.05 -45.17 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.35 -44.75 96.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 109.88 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.83 -42.46 97.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.277 0.561 . . . . 0.0 110.054 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.78 -35.98 81.62 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.863 -0.735 . . . . 0.0 109.256 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.96 -45.52 77.48 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -67.01 -42.58 84.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.51 -51.17 69.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.043 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.43 -47.84 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.632 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.82 76.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.947 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.11 -22.53 66.4 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.346 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.7 t -78.83 -2.2 38.55 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.35 27.81 12.66 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.508 -0.377 . . . . 0.0 112.406 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.84 48.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.28 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 32.2 t -99.58 -2.37 35.85 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.45 148.97 0.4 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.927 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.401 ' C ' ' HE ' ' A' ' 993' ' ' ARG . 22.8 Cg_endo -60.23 -30.13 90.53 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.007 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . 0.456 ' OD1' ' NH2' ' A' ' 993' ' ' ARG . 74.2 m-20 -71.68 -33.15 68.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -50.61 39.62 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.206 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.06 96.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.63 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 990' ' ' ASP . 82.6 mtm180 -63.84 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -61.99 -45.58 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.274 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 995' ' ' ASN . 0.8 OUTLIER -61.94 -41.52 98.05 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.489 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.02 93.46 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -53.74 -41.23 66.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.49 -46.7 84.94 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.733 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.45 -40.73 92.2 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -59.03 -43.95 91.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.326 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.55 74.24 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.04 -43.17 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -88.71 124.61 34.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1006 ' ' SER . 11.0 mp -109.22 128.66 55.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.99 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1006 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1005 ' ' LEU . 22.8 m . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.604 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 946' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 44.31 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 87.4 mtp -77.2 14.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -43.74 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 39.5 pt -132.96 154.2 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -163.98 28.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.375 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 951' ' ' LEU . 10.5 mp -81.13 131.87 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.189 0.519 . . . . 0.0 110.703 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.05 173.1 6.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.364 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -58.66 -39.62 81.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.039 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -69.31 -39.87 78.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.2 -37.92 81.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.182 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.86 -43.76 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.063 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.28 -38.34 90.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.391 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.46 -44.15 91.97 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.455 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 24.7 t90 -62.76 -47.7 82.39 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.043 0.449 . . . . 0.0 110.201 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.455 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 92.7 mm-40 -64.55 -38.5 91.24 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.515 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.34 -38.73 91.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.52 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 5.4 tt -68.47 -37.46 77.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.44 -43.46 96.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -58.44 -42.09 86.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.11 -40.66 98.27 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -74.52 -3.16 29.17 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 53.62 34.74 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.746 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 969' ' ' GLU . 10.7 ptmm? -153.39 -146.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' A' ' 968' ' ' LYS . 16.2 tm-20 -141.39 137.32 32.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -145.71 -171.93 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.732 179.049 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.516 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 73.0 p -117.96 163.46 16.54 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.03 0.443 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.8 t -59.7 -43.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.617 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -53.6 -44.01 69.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -60.02 -47.9 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.33 -44.16 95.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -40.34 92.76 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.649 0.738 . . . . 0.0 109.932 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.33 -43.41 81.63 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.404 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.47 -48.22 78.6 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.771 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -65.89 -35.54 80.91 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.1 -54.66 40.29 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.161 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . 0.448 ' O ' ' OG ' ' A' ' 984' ' ' SER . 95.9 mtm-85 -65.23 -43.68 90.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.516 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.15 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.488 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.97 -22.41 65.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 58.4 p -78.23 -3.73 44.18 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.6 28.32 10.5 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.43 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.83 153.46 43.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.04 0.42 . . . . 0.0 110.056 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 86.6 p -107.23 0.95 23.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.422 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 991' ' ' SER . 2.2 p30 -50.02 148.8 5.48 Favored Pre-proline 0 C--N 1.332 -0.168 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -57.85 -33.24 96.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.66 1.573 . . . . 0.0 111.846 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.02 -35.83 80.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 5.4 t -68.1 -52.54 33.86 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.799 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.68 -41.03 92.91 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.189 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.37 -40.12 95.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 109.945 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.19 -44.78 96.75 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -61.46 -41.91 97.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.32 96.01 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.619 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -53.79 -42.17 68.06 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.94 -39.99 96.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.034 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.63 -45.45 92.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -73.37 -31.87 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.398 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.18 98.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.747 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' 1005 ' ' LEU . 59.7 pttt -80.23 -24.45 40.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.068 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -57.43 70.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.33 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1003 ' ' LYS . 10.5 mp -112.81 141.19 46.9 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.706 -179.747 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -71.26 109.6 5.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' MET . . . . . 0.507 ' C ' ' H ' ' A' ' 949' ' ' ILE . 98.9 mtp -77.69 -6.34 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.822 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -72.99 32.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.507 ' H ' ' C ' ' A' ' 947' ' ' MET . 31.2 pt -63.27 -41.78 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 38.63 36.61 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.226 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 5.2 mp 54.72 170.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.088 0.47 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -70.9 165.35 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.89 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.46 -42.94 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.87 -43.95 86.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.203 0.525 . . . . 0.0 110.012 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.37 -37.66 80.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.83 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.05 -44.95 94.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.353 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 957' ' ' ASP . 67.4 t0 -63.69 -38.17 90.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -66.26 -42.88 87.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.429 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -63.85 -47.95 78.7 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.843 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.429 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.7 mm-40 -57.24 -39.56 75.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.433 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.85 -35.86 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.275 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.59 -37.64 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.41 -45.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.97 -39.59 90.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.317 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 57.9 t0 -61.76 -46.71 88.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.275 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 29.3 m95 -76.32 -4.53 42.6 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.864 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 54.34 15.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.99 152.6 39.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.13 138.31 47.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.142 0.496 . . . . 0.0 111.733 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.9 OUTLIER -137.87 -166.31 1.94 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 82.1 p -119.88 156.85 29.93 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.189 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.3 t -62.11 -42.62 95.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -48.63 -48.48 39.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.965 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -62.6 -47.8 82.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.081 0.467 . . . . 0.0 110.675 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.3 -40.67 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -68.63 -38.69 80.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.495 0.664 . . . . 0.0 109.517 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.51 -48.59 76.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.633 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -44.82 69.59 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.202 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -53.22 -52.7 58.06 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.92 -47.61 84.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.03 75.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.429 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.05 -24.77 67.83 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.233 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.96 -2.33 39.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.826 0.346 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.81 24.05 16.49 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.324 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.47 146.64 53.78 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.909 0.355 . . . . 0.0 110.282 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 88.4 p -104.31 -3.06 24.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.6 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -43.1 149.99 0.49 Allowed Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.49 -33.3 97.89 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.51 1.474 . . . . 0.0 110.805 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.81 -38.85 90.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.471 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.8 t -66.18 -51.31 59.0 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.36 -38.65 91.78 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.414 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -39.88 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.44 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -61.22 -41.02 96.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.367 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.74 89.4 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 61.0 t90 -53.79 -41.77 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -39.29 93.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.89 -49.79 76.45 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.47 -42.74 99.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -60.6 -44.89 95.76 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.256 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.86 65.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.074 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' 1004 ' ' ARG . 0.0 OUTLIER -75.01 -38.77 61.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.622 -179.03 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' 1003 ' ' LYS . 36.4 ptt180 -82.54 41.65 0.72 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.23 -41.26 96.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.271 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.708 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -150.19 153.8 36.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 37.5 ttm -68.57 -9.49 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 949' ' ' ILE . . . -60.24 -33.27 72.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.396 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 948' ' ' ALA . 38.3 pt -44.91 171.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.775 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -142.83 -2.72 1.03 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.4 mp -78.15 147.69 34.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.93 170.64 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.307 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.16 -41.6 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.13 -41.22 97.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.35 0.595 . . . . 0.0 109.429 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -68.79 -41.3 78.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.644 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.1 -45.19 95.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.902 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -64.37 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.832 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.25 -41.22 97.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.908 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.451 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 18.6 t90 -64.92 -49.51 70.14 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.451 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 95.0 mm-40 -62.94 -39.73 95.5 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.352 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.32 -37.93 89.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.312 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.84 -38.08 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -43.63 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.409 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -60.88 -39.67 90.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.24 -43.74 95.84 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.309 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -75.77 -2.54 30.3 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.946 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 58.76 15.59 3.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.237 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.99 143.87 29.75 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.08 136.74 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.294 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.9 mtm -138.8 -179.75 6.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.813 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.9 p -118.85 164.52 15.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.02 -42.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.282 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -54.58 -48.53 72.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.1 mp0 -60.35 -41.24 93.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.077 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -41.8 89.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.743 0.783 . . . . 0.0 109.124 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.82 -42.17 95.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.25 -48.75 76.89 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.073 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -35.67 81.15 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.483 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' A' ' 984' ' ' SER . 78.4 tt0 -63.04 -53.94 45.88 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.595 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -60.92 -46.15 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.42 85.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 111.173 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 983' ' ' LEU . 1.7 mp -62.61 -26.6 68.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 980' ' ' GLU . 14.5 m -78.02 -3.14 40.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.618 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 88.92 27.24 24.4 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.341 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.87 144.26 56.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.308 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.1 m -90.97 -8.85 48.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -40.66 148.94 0.34 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.4 -30.99 92.09 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.065 1.843 . . . . 0.0 111.327 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -70.16 -31.51 69.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.7 t -71.17 -51.77 22.96 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.265 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.822 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.92 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.84 -45.02 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.061 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.83 -41.83 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.62 94.02 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.466 -0.493 . . . . 0.0 109.903 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -53.63 -41.85 67.16 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.82 -37.79 88.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.77 -40.65 97.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.08 -42.22 98.09 Favored 'General case' 0 N--CA 1.458 -0.057 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -65.22 -44.28 88.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.844 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -54.96 -35.13 63.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.687 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 54.7 pttt -79.2 -33.86 43.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.264 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -60.25 -39.45 86.79 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.87 -42.03 99.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.223 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.17 179.625 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.473 ' C ' ' N ' ' A' ' 948' ' ' ALA . . . -164.79 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 43.4 ttm 47.24 17.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.536 0.684 . . . . 0.0 109.719 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.473 ' N ' ' C ' ' A' ' 946' ' ' ALA . . . -65.15 -34.93 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.526 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 43.5 pt -79.81 141.46 15.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -84.7 -2.32 57.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.48 149.05 40.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.491 0.662 . . . . 0.0 110.948 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -83.13 171.06 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.253 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.82 -46.42 84.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -64.12 -42.29 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.85 -37.45 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.145 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.53 -44.58 89.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.118 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.91 -38.24 90.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.176 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.76 -41.69 95.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.536 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.5 t90 -65.48 -46.92 77.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.074 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.536 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 61.1 mm-40 -64.57 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.157 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.16 -38.08 89.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.07 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -67.91 -37.78 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -43.94 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -60.59 -41.25 94.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -61.6 -43.64 98.49 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.612 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.0 m95 -78.18 -3.55 43.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.432 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 53.52 14.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . 0.413 ' HZ1' ' HB3' ' A' ' 966' ' ' TRP . 25.1 pttm -139.1 147.14 41.57 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -76.59 137.74 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 112.03 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.1 ptm -145.91 170.18 17.1 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.411 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.543 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.8 p -92.42 163.72 13.75 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 111.824 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.79 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.623 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.34 -44.25 68.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.543 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.2 mp0 -60.02 -39.11 84.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -62.14 -44.43 96.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.153 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -66.79 -36.5 82.54 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.791 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.44 -46.98 80.83 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 46.2 pttt -69.9 -45.77 66.87 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.514 -0.475 . . . . 0.0 109.867 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 80.4 tt0 -51.02 -51.67 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . 0.408 ' O ' ' OG ' ' A' ' 984' ' ' SER . 4.8 mmp_? -62.29 -47.27 85.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.582 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.62 77.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.124 0.488 . . . . 0.0 111.591 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.79 -26.07 68.47 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.918 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 60.2 p -79.24 -1.23 35.52 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.5 26.1 16.5 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.294 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.5 141.99 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.419 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 67.9 m -98.98 -6.95 27.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.19 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.32 149.47 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -58.95 -31.31 95.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.751 1.634 . . . . 0.0 111.014 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -66.9 -38.4 86.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 4.9 t -69.28 -52.12 30.58 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.13 -38.69 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.344 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -64.22 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.42 -45.52 93.98 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.85 -40.79 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.77 97.18 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 62.0 t90 -54.6 -41.44 69.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.33 -38.91 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.4 -43.89 96.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.21 -42.41 98.55 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' 1004 ' ' ARG . 61.8 ttt180 -60.85 -42.51 97.95 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.592 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.25 64.54 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.965 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 65.6 mttm -67.48 -42.34 83.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.853 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' 1001 ' ' ARG . 10.8 ptp85 -104.54 118.84 37.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.628 0.728 . . . . 0.0 111.804 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' 1005 ' ' LEU . 10.5 mp -94.33 133.99 37.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.464 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.766 179.743 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.07 138.66 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 97.7 mmm -64.74 -39.98 94.54 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.433 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -146.19 141.85 27.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.281 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 951' ' ' LEU . 22.3 pt -118.3 -34.57 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 70.69 -46.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.184 0.516 . . . . 0.0 111.211 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 949' ' ' ILE . 8.8 mp -75.55 152.06 37.82 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.707 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.91 170.39 8.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -44.25 95.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -65.91 -41.83 90.95 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.47 -40.56 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.64 -42.84 97.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.294 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.37 -39.49 94.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.79 -40.1 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.481 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.4 t90 -65.97 -45.55 81.32 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.481 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 69.4 mm-40 -63.07 -40.01 96.42 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.68 -37.49 87.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.348 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.421 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 3.3 tt -68.32 -37.53 78.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.47 -43.95 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.226 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -62.29 -38.46 89.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.69 -42.8 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.588 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 60.0 m95 -80.28 -1.06 39.21 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.348 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 56.6 14.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.549 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -147.95 156.21 42.41 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.23 148.16 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.257 0.551 . . . . 0.0 112.224 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.588 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 4.8 ptm -153.77 156.76 38.34 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.602 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.648 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 31.8 p -81.72 163.54 22.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.246 0.546 . . . . 0.0 111.665 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.8 t -65.99 -43.32 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.934 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.51 -40.03 65.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.027 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.648 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.0 OUTLIER -59.65 -41.17 89.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -60.62 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.039 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.13 -41.39 98.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.204 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -66.62 -40.57 88.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.95 -45.96 83.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.078 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 7.8 pttp -69.96 -41.6 74.29 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 78.5 tt0 -54.8 -50.05 69.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.11 -44.17 93.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.45 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.85 91.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 983' ' ' LEU . 9.8 mp -69.77 -24.53 63.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 33.1 t -78.79 -4.35 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.93 28.02 14.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.5 151.43 47.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 0.38 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.95 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.66 148.89 4.76 Favored Pre-proline 0 C--N 1.331 -0.217 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.08 -34.82 98.92 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.622 1.548 . . . . 0.0 111.394 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.7 -28.01 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 3.3 t -71.02 -52.86 17.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.419 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.34 -39.59 89.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.642 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -64.83 -39.86 94.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.887 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -62.28 -50.72 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.49 -40.67 79.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.02 75.66 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -56.82 -40.85 76.75 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.83 -40.11 95.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.52 -42.42 99.51 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.786 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.21 -42.08 94.37 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -60.11 -43.14 95.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.464 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -57.64 -34.28 69.16 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' 1004 ' ' ARG . 99.7 mttt -70.23 -39.77 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1004 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1003 ' ' LYS . 98.4 mtt180 -49.83 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' 1004 ' ' ARG . 64.6 mt 35.27 33.08 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1006 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1004 ' ' ARG . 14.3 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.684 -1.15 . . . . 0.0 110.564 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.444 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 4.1 ptp -81.07 15.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.985 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -46.18 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 18.1 pt -128.27 142.44 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.172 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -94.05 -1.73 53.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.717 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 11.2 mp -82.65 130.15 35.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -78.51 175.12 10.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.541 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -55.65 -42.35 74.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . 0.434 ' O ' ' OE2' ' A' ' 958' ' ' GLU . 47.1 t0 -64.19 -45.79 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.9 -38.69 91.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 110.749 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.179 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.84 -40.3 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.745 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 954' ' ' ASP . 0.7 OUTLIER -66.02 -42.35 89.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.711 -179.499 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.423 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 19.4 t90 -63.73 -51.22 65.94 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.423 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -56.15 -40.05 73.23 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.094 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -64.32 -34.96 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 1.8 tt -65.11 -40.52 89.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.27 -43.83 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.0 -40.93 81.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.615 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -63.43 -45.74 89.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.114 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -81.15 -5.13 57.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.94 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 50.96 21.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -141.33 149.13 40.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.78 0.324 . . . . 0.0 110.241 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.72 140.34 51.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.726 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 971' ' ' THR . 1.3 ppp? -147.1 -170.88 3.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.329 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.661 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 23.4 p -119.97 157.9 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 0.0 111.079 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.17 -42.59 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.437 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -50.46 -49.6 54.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.177 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.661 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.81 -41.65 82.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.445 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.486 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.01 -39.41 92.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.68 -42.06 91.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.09 -48.59 75.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.148 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -69.41 -40.79 77.09 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.15 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.55 -51.59 66.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.221 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.75 -47.74 79.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.753 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.71 66.54 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.408 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.78 -24.61 67.83 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.148 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.74 -3.74 45.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.705 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 97.94 27.29 9.0 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.27 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.77 153.58 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.104 0.452 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 19.2 m -111.7 -5.0 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.088 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -44.67 150.1 0.72 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.878 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -33.14 96.69 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.86 1.707 . . . . 0.0 111.525 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.17 -34.36 77.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.643 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.4 t -70.89 -51.91 23.35 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.838 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.52 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.458 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.08 -38.11 89.69 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.3 -44.68 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.578 . . . . 0.0 109.93 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -60.24 -41.31 92.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.06 95.73 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.597 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -53.21 -41.37 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.98 -40.41 97.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.48 -42.71 99.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.834 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.89 -41.86 98.39 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -61.05 -45.27 95.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.648 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.71 70.76 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -73.09 -32.73 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -58.62 -30.07 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.45 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.57 -42.8 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.194 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.442 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -143.16 91.19 2.25 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 93.9 mmm -63.38 -40.69 97.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . 51.26 96.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.535 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.58 ' N ' ' CD1' ' A' ' 949' ' ' ILE . 1.5 mp -112.56 131.05 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.181 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -46.33 -16.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.439 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 949' ' ' ILE . 11.2 mp -91.13 135.34 33.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.546 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -66.16 172.74 3.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.835 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -60.16 -44.5 94.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.82 -40.44 88.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 0.0 110.377 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.91 -40.35 94.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.072 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -60.01 -43.89 94.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.36 -39.74 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.105 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -65.61 -39.28 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.949 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.568 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 30.1 t90 -62.09 -47.99 82.19 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.568 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 60.8 mm-40 -58.38 -38.91 78.26 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.852 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.9 -35.73 81.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.18 -40.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.82 -43.48 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -57.2 -42.78 81.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 997' ' ' TRP . 17.7 t70 -61.8 -43.78 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.029 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 45.0 m95 -77.81 -3.06 39.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.067 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 49.92 20.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.536 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.01 153.36 41.4 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -76.1 130.55 38.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.578 . . . . 0.0 111.749 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.418 ' SD ' ' C ' ' A' ' 970' ' ' MET . 3.5 ppp? -145.82 154.85 42.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.944 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.479 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 65.6 p -83.13 167.31 17.91 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -177.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.5 -43.35 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.876 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.31 -46.33 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.56 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -52.74 -44.89 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -61.32 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.82 -37.9 86.14 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.309 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.4 tp -62.57 -49.08 76.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.462 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 10.2 ptmm? -68.13 -43.99 77.09 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.02 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 81.2 tt0 -53.15 -49.62 66.23 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.302 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.01 -48.69 75.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.59 -50.55 72.16 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.587 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.03 -25.91 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.507 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 11.9 t -78.05 0.22 25.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.853 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.9 29.09 21.7 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.889 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.85 145.73 53.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.117 0.484 . . . . 0.0 110.999 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 -4.04 35.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.2 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.48 150.85 0.49 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.29 -29.99 87.14 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.925 1.75 . . . . 0.0 111.436 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.45 -28.71 61.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.498 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.0 t -70.8 -49.7 43.61 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.0 94.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.34 -37.07 85.85 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -59.88 -43.09 94.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.14 93.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.554 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.405 ' CD1' ' OD1' ' A' ' 965' ' ' ASP . 71.3 t90 -55.61 -41.53 73.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.57 -40.74 97.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.33 -43.43 96.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.56 -43.41 97.29 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.54 -42.9 88.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.31 68.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.31 -37.72 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.247 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -81.63 77.38 8.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.73 -41.28 98.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.019 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.453 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.91 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.281 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 16.2 ptm -62.01 -39.27 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.305 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -50.66 -62.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.345 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 45.6 pt -143.27 153.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.834 0.349 . . . . 0.0 111.457 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -123.25 -2.37 8.57 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.58 152.44 35.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.252 0.549 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.57 175.02 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.993 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -56.46 -45.05 81.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.103 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.29 -45.53 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 111.011 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -65.59 -38.46 89.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.256 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.94 -42.03 97.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -63.97 -34.93 79.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.235 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -66.2 -42.46 88.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.5 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 27.7 t90 -64.28 -48.31 76.17 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.419 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 93.5 mm-40 -63.66 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.586 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.04 -39.74 95.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.497 ' CD1' ' CE3' ' A' ' 997' ' ' TRP . 1.0 OUTLIER -68.09 -38.08 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.5 -44.19 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.553 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.02 -42.07 93.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.15 -46.52 90.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.522 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.6 m95 -76.71 -3.24 37.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.398 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 53.49 17.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.355 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -141.1 151.05 43.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.12 132.23 35.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.264 0.554 . . . . 0.0 112.394 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.9 ptm -138.03 144.95 41.27 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.552 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.7 p -77.6 166.5 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.706 0.765 . . . . 0.0 112.102 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.97 -42.45 96.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.747 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -55.25 -41.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.974 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.39 -37.73 84.46 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.26 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 976' ' ' LEU . 4.1 mm? -62.27 -42.56 99.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.025 0.44 . . . . 0.0 109.84 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 977' ' ' ASP . 67.0 t0 -67.85 -39.43 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.279 0.562 . . . . 0.0 110.449 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.07 -44.78 87.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.893 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 8.0 pttp -69.23 -44.79 71.31 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 84.8 tt0 -51.0 -51.48 52.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.753 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.24 -45.56 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.519 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.31 -51.95 65.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.59 -23.83 67.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.024 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 2.4 t -79.03 -1.62 36.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.19 25.43 19.32 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.936 -0.465 . . . . 0.0 111.936 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.14 146.51 54.56 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.299 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 100.0 p -109.19 2.07 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.157 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.71 150.51 2.5 Favored Pre-proline 0 C--N 1.333 -0.128 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.39 -41.07 80.1 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 121.187 1.258 . . . . 0.0 111.327 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.271 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 50.6 m -65.4 -50.67 64.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.97 -35.87 81.75 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.982 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.43 -39.55 94.04 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.71 -46.89 87.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.123 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -42.18 91.78 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.4 96.51 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.392 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.497 ' CE3' ' CD1' ' A' ' 962' ' ' ILE . 73.4 t90 -53.09 -40.71 64.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.85 -40.68 98.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.07 -46.18 82.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.716 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.12 -42.5 94.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -60.02 -43.17 95.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.764 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.41 72.57 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.183 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -74.14 -35.43 64.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.294 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.9 mmt-85 -60.4 -34.98 74.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.443 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.12 -42.15 98.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.597 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -165.7 171.33 13.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 111.323 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 8.0 ttt -62.67 -37.41 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -52.81 145.82 11.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.467 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 951' ' ' LEU . 0.0 OUTLIER -91.12 16.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 -179.453 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 69.15 -45.03 0.55 Allowed 'General case' 0 CA--C 1.518 -0.252 0 O-C-N 123.516 0.51 . . . . 0.0 111.702 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 949' ' ' ILE . 11.2 mp -86.09 133.87 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.121 0.486 . . . . 0.0 110.572 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.84 175.81 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.711 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.59 -44.14 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.155 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -43.15 95.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.07 -41.52 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -63.24 -40.7 98.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.311 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.33 -35.91 81.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.526 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 32.7 t90 -65.83 -44.1 86.59 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.526 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.3 mm-40 -65.6 -38.03 88.3 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.823 178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -66.22 -37.16 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.49 -37.18 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.44 -44.95 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -60.84 -40.45 92.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.1 -46.64 82.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.384 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 21.0 m95 -82.46 -4.49 57.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 49.88 20.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -137.7 151.79 48.6 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -77.42 144.0 38.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 111.209 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.7 OUTLIER -152.03 162.48 41.03 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 179.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.563 ' HG1' ' NE2' ' A' ' 974' ' ' GLN . 80.4 p -86.85 161.47 18.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.138 0.494 . . . . 0.0 111.658 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.67 -42.9 93.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.644 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.07 -44.59 79.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.186 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.563 ' NE2' ' HG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -58.87 -42.41 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.5 -44.46 96.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.161 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -38.98 87.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.69 0.757 . . . . 0.0 109.062 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.126 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.42 -47.21 82.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.097 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -41.67 76.07 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.956 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.33 -46.89 73.0 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.141 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.32 -47.48 79.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.81 -48.4 76.98 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 111.68 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -25.93 67.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 23.0 t -79.0 -1.1 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.13 29.02 18.81 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.17 151.33 43.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 9.8 t -109.31 -9.85 14.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.804 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 991' ' ' SER . 1.5 p30 -50.13 148.87 5.6 Favored Pre-proline 0 N--CA 1.463 0.184 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.432 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.17 -33.03 95.14 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.865 1.71 . . . . 0.0 112.152 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.5 -35.84 82.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' SER . . . . . 0.52 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 20.7 m -70.98 -53.34 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.235 -178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.25 -38.47 91.29 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.427 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 22.0 mmt85 -62.56 -41.5 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.86 -47.06 88.12 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.53 -40.73 79.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.19 94.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.911 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 53.8 t90 -54.33 -41.83 69.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.41 -40.89 98.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.77 -44.9 95.97 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.331 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.76 -42.26 98.75 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -59.55 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.19 -30.77 69.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.928 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1003 ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' 1005 ' ' LEU . 6.7 mmmt -68.69 -39.55 80.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.045 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -51.51 -11.74 0.14 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1005 ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' 1003 ' ' LYS . 98.7 mt -61.34 -42.89 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.295 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.496 179.393 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 946' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.574 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 46.0 -174.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 0.0 110.6 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 21.5 ttt 66.79 -34.11 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.574 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -96.16 91.58 5.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 949' ' ' ILE . 0.0 OUTLIER -71.31 -31.76 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.295 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . 46.23 19.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.543 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 950' ' ' ALA . 10.3 mp 56.24 152.29 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 110.867 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.66 174.42 6.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.562 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.63 -46.12 87.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.548 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.89 -42.71 97.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.443 . . . . 0.0 110.177 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.05 -37.05 80.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.2 -42.89 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.549 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.24 -36.98 85.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.894 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.1 -41.16 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.361 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.504 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 27.5 t90 -65.21 -46.45 80.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.504 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.0 mm-40 -64.2 -36.26 83.48 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.882 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.01 -38.37 90.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 2.9 tt -68.86 -38.16 78.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 963' ' ' ILE . 89.1 mt -61.33 -43.36 96.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -60.69 -40.64 92.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.287 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.09 -46.04 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -78.25 -3.49 43.08 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 50.84 24.21 1.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.15 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.86 -137.32 0.16 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -145.09 143.72 30.56 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.411 0.624 . . . . 0.0 111.588 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.08 158.37 30.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.739 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 76.4 p -86.02 165.9 16.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.482 0.658 . . . . 0.0 112.535 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.68 -43.32 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.859 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.25 -40.49 64.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.247 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.1 OUTLIER -60.35 -41.66 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.78 -44.29 97.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.336 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -40.95 92.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.34 -42.48 92.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.973 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.28 -46.69 82.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.356 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 17.3 ptmt -69.67 -42.14 74.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.025 0.44 . . . . 0.0 110.158 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 44.5 tt0 -57.05 -50.99 71.06 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.339 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -63.65 -47.78 79.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.297 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.85 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.621 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.9 -21.41 66.0 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 28.0 t -79.1 -2.3 39.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.428 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.21 25.84 15.59 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.72 147.11 52.3 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.0 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.4 p -102.94 -1.37 29.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.039 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -46.89 150.32 1.34 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.804 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.36 -29.75 89.5 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 121.909 1.74 . . . . 0.0 111.223 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -71.21 -32.07 68.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.6 t -69.84 -51.1 36.37 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.274 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.29 -38.29 90.56 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -60.73 -43.54 97.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -60.37 -41.15 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.27 96.51 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.799 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -54.25 -42.17 69.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.07 -39.5 94.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.96 -42.43 97.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.39 -42.13 95.27 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -61.85 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.633 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -57.34 -34.0 68.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 65.6 mttm -72.12 -40.71 67.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -62.69 -40.93 98.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.13 -42.09 99.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.46 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.508 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -87.25 -2.31 58.53 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 120.946 0.403 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 52.6 mmm -61.24 -32.01 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.403 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 949' ' ' ILE . . . -63.15 134.97 56.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.366 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' ILE . . . . . 0.493 ' O ' ' O ' ' A' ' 948' ' ' ALA . 43.6 pt 34.98 -162.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.219 0.533 . . . . 0.0 112.002 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -168.59 3.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.704 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 951' ' ' LEU . 10.2 mp -94.02 133.46 37.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.193 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.38 173.49 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 953' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 1.6 p30 -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.834 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 954' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 38.1 t70 -65.64 -39.92 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.258 0.551 . . . . 0.0 109.988 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.43 -38.1 80.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.9 -44.05 91.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.052 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -62.45 -39.71 94.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.36 -39.2 92.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' TRP . . . . . 0.412 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 21.1 t90 -64.24 -48.95 73.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.64 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' GLN . . . . . 0.412 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 82.7 mm-40 -61.96 -36.67 82.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.246 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.95 -37.59 86.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.576 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' ILE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 997' ' ' TRP . 4.0 tp -70.43 -37.96 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.035 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -42.85 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.19 -41.0 92.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.288 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.16 -42.45 94.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.241 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -74.54 -1.91 23.5 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.255 0.55 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 55.87 26.82 10.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.179 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -147.3 -152.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.84 136.25 54.26 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.762 0.315 . . . . 0.0 111.216 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 6.5 mtm -136.89 -173.07 3.34 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.179 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' THR . . . . . 0.457 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 43.0 p -118.83 159.16 24.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.86 -43.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -52.79 -49.05 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.42 -45.47 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.49 -44.65 96.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.76 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -43.24 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.58 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 977' ' ' ASP . 65.3 t0 -66.49 -35.3 79.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.11 0.481 . . . . 0.0 110.21 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.55 -46.47 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.063 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.62 -41.85 71.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.92 -47.72 74.02 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.399 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -64.95 -45.14 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.94 67.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 111.276 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.76 -22.29 66.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.641 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 27.0 t -79.58 -1.98 40.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.57 17.18 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.44 147.98 52.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 111.022 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 58.4 m -103.7 -5.59 22.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.746 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -45.98 148.19 1.51 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.21 -32.96 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.764 1.642 . . . . 0.0 111.343 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.46 -27.76 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.163 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 36.9 m -71.69 -50.49 29.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -39.57 88.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -62.58 -41.78 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.042 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -62.09 -44.46 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.59 -42.33 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.614 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' TRP . . . . . 0.434 ' CD2' ' CD1' ' A' ' 962' ' ' ILE . 68.3 t90 -53.29 -41.34 65.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.94 -40.05 95.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.3 -47.66 83.29 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.89 -40.17 94.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -60.29 -47.62 85.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.275 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -66.43 -28.88 68.95 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.088 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -69.87 -45.45 67.68 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.01 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.17 -36.32 79.44 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.76 -33.41 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 109.987 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.288 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.43 -45.65 92.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -67.47 -40.98 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 0.0 110.651 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.0 -38.8 92.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.792 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.18 -44.28 92.16 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.85 -39.34 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.745 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.29 -43.72 93.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.235 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 962' ' ' ILE . 21.1 t90 -65.56 -46.77 78.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.156 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.407 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.8 mm-40 -64.03 -37.07 86.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.226 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.84 -36.95 81.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.3 tt -66.06 -39.04 83.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 967' ' ' ARG . 78.1 mt -60.66 -43.37 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.283 178.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -57.87 -40.52 80.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.29 -44.67 96.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.376 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -85.36 -4.89 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 967' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 963' ' ' ILE . 91.0 mtt-85 50.88 15.8 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.636 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -134.95 135.67 41.67 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.15 128.01 34.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.029 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 971' ' ' THR . 2.5 ppp? -125.52 162.0 25.89 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.078 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.483 ' O ' ' SD ' ' A' ' 970' ' ' MET . 25.7 p -86.03 155.04 21.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.275 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.64 -42.02 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.405 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -52.36 -48.59 65.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.71 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.21 -42.5 81.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.102 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -60.2 -45.32 93.57 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.218 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.95 -40.06 94.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.246 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -64.91 -41.86 95.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.79 -48.85 72.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.937 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 39.9 pttt -67.75 -42.58 81.58 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.2 tt0 -52.01 -52.42 50.82 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.942 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.85 -44.86 88.39 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.617 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.87 71.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.076 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 983' ' ' LEU . 6.1 mp -65.58 -24.78 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 29.5 t -78.26 3.64 14.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.75 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.05 28.68 25.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.65 145.75 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.977 0.389 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 49.8 m -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.938 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -43.66 148.85 0.67 Allowed Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.03 -31.58 91.26 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.916 1.744 . . . . 0.0 111.55 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.22 -27.68 63.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.636 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 2.4 t -73.02 -52.78 13.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.511 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -37.58 87.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -65.97 -39.15 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.25 -46.3 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.241 0.543 . . . . 0.0 109.839 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -59.27 -39.41 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.04 95.9 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.35 -39.42 70.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.35 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.33 -44.22 88.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.5 -43.3 99.12 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -58.74 -41.33 86.24 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.791 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.66 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.45 -39.7 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.079 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.58 -42.55 78.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.053 0.454 . . . . 0.0 109.923 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -68.84 -37.67 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.415 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.8 -42.59 89.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.17 -38.31 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.37 -44.16 88.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.507 ' CE2' HD11 ' A' ' 963' ' ' ILE . 22.5 t90 -61.32 -49.29 77.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.442 . . . . 0.0 109.868 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.422 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.9 mm-40 -61.93 -37.05 83.23 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.36 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -65.23 -36.0 82.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 997' ' ' TRP . 3.2 tp -69.92 -38.54 75.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.507 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.7 mt -60.11 -42.53 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.34 -42.9 96.66 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.608 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -76.99 -0.63 25.16 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.926 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 52.29 42.62 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -162.48 -157.48 0.46 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -118.67 134.64 54.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.925 0.393 . . . . 0.0 111.223 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.5 mtm -136.48 -174.82 3.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.475 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.455 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 21.6 p -120.13 157.05 29.8 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.992 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -50.18 -44.46 52.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.646 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.03 -44.22 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -44.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -40.95 95.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -67.3 -37.97 84.24 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.61 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.25 -46.66 79.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.101 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 47.9 pttt -69.24 -44.2 72.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 37.7 tp10 -53.66 -51.83 61.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -64.62 -44.51 90.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.018 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.69 65.19 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.41 -22.52 66.23 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.727 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 18.2 t -79.4 -3.63 47.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.506 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.74 29.57 9.14 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.55 148.35 48.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 99.3 p -104.95 -2.25 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.05 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.82 152.41 1.79 Allowed Pre-proline 0 CA--C 1.531 0.213 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.85 -34.04 98.86 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.855 1.703 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.93 -34.01 76.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.701 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.6 t -69.41 -48.0 62.4 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.0 78.31 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.874 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.33 -39.93 95.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -62.13 -43.07 99.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.779 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -59.21 -42.56 91.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.75 97.81 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.374 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.486 ' CE2' HD12 ' A' ' 962' ' ' ILE . 81.1 t90 -53.62 -40.6 65.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.64 -40.46 97.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -63.51 -43.04 98.33 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.2 -41.87 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -60.58 -46.26 90.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.598 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.407 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -45.75 81.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.2 -42.96 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.09 -38.49 88.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.171 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.61 -44.08 93.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.187 0.518 . . . . 0.0 109.784 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.42 -37.8 87.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.729 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.84 -38.84 89.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.927 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.4 t90 -62.22 -48.05 81.72 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.467 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -63.44 -36.99 85.56 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.99 -39.18 93.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.74 -37.82 78.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 959' ' ' TRP . 70.8 mt -60.28 -43.43 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.294 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.81 -40.32 92.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.441 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 71.5 m95 -75.13 -3.78 34.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.044 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 55.7 20.17 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.579 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -149.28 141.59 24.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.17 135.17 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.735 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 10.2 mtm -132.35 -172.78 2.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.889 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 59.5 p -118.88 160.45 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.904 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.8 -43.2 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -50.18 -48.59 53.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.648 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.553 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.3 OUTLIER -57.24 -48.1 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.15 -43.5 98.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.272 0.558 . . . . 0.0 110.283 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.25 -43.25 96.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.395 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -67.5 -35.68 79.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.596 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.43 -47.2 80.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.556 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -69.16 -37.12 78.06 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.07 -50.23 74.85 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 981' ' ' ARG . . . . . 0.417 ' O ' ' OG ' ' A' ' 984' ' ' SER . 99.6 mtt180 -63.48 -46.62 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.393 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.61 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 111.205 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.82 -21.79 65.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 984' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 96.6 p -79.6 -3.34 46.59 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.469 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.98 29.4 8.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.97 149.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.05 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -112.84 -0.95 14.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.98 150.69 5.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.85 -32.02 93.93 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.733 1.622 . . . . 0.0 111.486 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.25 -32.88 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.091 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 66.8 m -70.58 -52.98 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.22 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.18 -39.3 92.71 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.661 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 993' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 17.9 mmm180 -62.76 -39.07 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.09 -47.16 87.59 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.27 -40.98 87.76 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.55 93.95 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -53.46 -42.38 67.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.24 -47.6 83.66 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.415 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.06 -42.27 94.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -62.36 -44.03 97.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.309 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.837 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.71 -44.76 96.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.17 -42.89 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.802 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.28 -42.45 88.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.168 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.31 -43.87 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 110.132 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.42 -37.43 87.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -66.1 -40.55 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.077 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.746 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.5 t90 -63.13 -45.97 89.44 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.871 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.486 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.6 mm-40 -64.63 -38.08 89.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.984 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.43 -37.67 87.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.632 HD12 ' NE1' ' A' ' 966' ' ' TRP . 0.4 OUTLIER -68.86 -40.13 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.8 mt -59.98 -43.6 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.185 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -60.14 -38.82 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.59 -44.97 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.496 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.632 ' NE1' HD12 ' A' ' 962' ' ' ILE . 31.3 m95 -74.2 -2.33 24.3 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.554 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 52.6 30.8 9.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.011 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -146.1 -149.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.12 141.42 44.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -154.44 175.57 13.42 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 37.3 p -95.92 162.86 13.39 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.532 0.682 . . . . 0.0 112.465 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.46 -42.59 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.184 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.54 -41.81 73.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.371 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.536 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.2 OUTLIER -62.86 -39.68 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.947 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.46 -44.83 95.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.517 ' HA ' ' HZ2' ' A' ' 979' ' ' LYS . 7.8 mp -61.91 -38.59 88.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.671 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.99 -37.64 88.31 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.696 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.97 -47.31 75.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.248 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.517 ' HZ2' ' HA ' ' A' ' 976' ' ' LEU . 19.1 pttm -66.91 -44.99 79.32 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.8 tt0 -53.94 -45.91 71.38 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.566 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -63.29 -47.24 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.86 -47.27 78.51 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.172 0.511 . . . . 0.0 111.219 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.39 -26.01 68.55 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.411 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 1.8 t -79.14 0.13 29.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.822 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.61 29.28 16.71 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.38 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.53 145.49 53.97 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 4.6 t -100.99 -5.48 25.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -42.37 151.21 0.37 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.97 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -59.51 -30.05 91.51 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.378 1.385 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.23 -27.41 62.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.045 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 991' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 16.3 p -71.06 -53.96 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 992' ' ' GLN . . . . . 0.436 ' N ' ' OG ' ' A' ' 991' ' ' SER . 0.2 OUTLIER -64.78 -42.19 95.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.214 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.8 -38.02 89.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.43 -45.25 95.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.063 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.32 -43.11 99.41 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 0.0 109.395 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.84 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.171 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -53.17 -41.15 64.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.44 -42.36 99.4 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.41 -45.93 92.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.53 -41.53 90.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -64.39 -40.8 96.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.605 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 . . . . . 0 C--O 1.231 0.087 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 953' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 40.8 p-10 -63.49 -36.23 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.032 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 954' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 56.5 t0 -71.6 -41.12 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.303 0.573 . . . . 0.0 109.739 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.7 -38.56 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.632 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.66 -43.96 90.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.65 -38.39 87.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.068 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.77 -40.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.644 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.1 t90 -63.25 -43.52 97.77 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.488 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.1 mm-40 -65.15 -34.8 79.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.023 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -64.51 -39.52 93.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.6 tp -68.89 -36.52 74.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 959' ' ' TRP . 78.3 mt -60.13 -43.3 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.02 -42.42 94.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.553 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 82.1 m-20 -64.48 -40.52 95.83 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.054 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.527 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 80.4 m95 -73.92 -0.06 14.94 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.847 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 55.52 14.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.03 152.2 33.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.427 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -76.91 132.93 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 3.5 ptm -137.28 -166.98 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 971' ' ' THR . . . . . . . . . . . . . 81.1 p -116.13 164.86 13.85 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.357 0.598 . . . . 0.0 111.82 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.68 -42.57 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.731 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -49.89 -48.55 51.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.687 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.98 -46.01 85.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.469 . . . . 0.0 109.748 179.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.61 -48.33 79.88 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.113 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.5 -45.45 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.139 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.62 -47.4 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.143 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.633 ' O ' HD13 ' A' ' 983' ' ' LEU . 33.1 pttt -70.53 -39.67 73.91 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.852 0.358 . . . . 0.0 110.148 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.72 -50.25 73.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.99 -43.69 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.29 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.994 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 979' ' ' LYS . 10.3 mp -68.54 -27.08 65.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 38.3 t -77.82 -1.05 29.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.964 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.95 30.05 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.404 -0.426 . . . . 0.0 112.184 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.83 144.88 56.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.203 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -107.65 0.88 22.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.41 151.04 0.78 Allowed Pre-proline 0 C--O 1.226 -0.148 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.67 -41.95 70.32 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 121.522 1.482 . . . . 0.0 111.157 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -67.11 -36.03 81.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.792 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 62.0 m -64.93 -53.12 51.35 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.28 -39.26 92.33 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.198 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.93 -40.21 96.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.86 -45.3 95.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.19 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.56 -41.54 90.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.266 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.553 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 61.5 t90 -54.0 -41.05 67.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.189 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -39.19 89.57 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -62.51 -41.84 99.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.434 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.76 -42.83 97.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.414 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -72.76 -33.42 66.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.469 -0.892 . . . . 0.0 109.782 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.407 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 953' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 30.4 p-10 -61.48 -37.21 82.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.181 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 954' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 66.1 t0 -71.23 -39.45 71.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.723 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -66.25 -40.61 90.3 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.976 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -59.58 -42.99 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.19 -36.1 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.793 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.02 -36.17 81.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.373 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.525 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 29.4 t90 -67.93 -47.69 68.0 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 109.863 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.525 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.3 mm-40 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.229 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.266 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -67.07 -38.06 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.0 -43.58 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.87 -42.38 89.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.535 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 43.0 m-20 -62.37 -43.08 99.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.032 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -78.1 -4.83 49.35 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.79 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 51.38 40.22 26.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -152.78 -132.55 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.755 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -152.07 145.35 24.71 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.027 0.441 . . . . 0.0 111.137 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -153.93 -171.24 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.462 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.503 ' O ' ' SD ' ' A' ' 970' ' ' MET . 72.0 p -118.6 161.09 20.63 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.146 0.498 . . . . 0.0 110.809 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 18.0 t -60.34 -43.44 93.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.542 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -54.7 -44.12 73.13 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.17 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.689 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.5 -42.62 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.46 -45.94 90.76 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.59 -39.98 95.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.472 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.16 -37.64 81.23 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.686 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.418 HD21 ' CG ' ' A' ' 994' ' ' TYR . 2.9 tt -64.76 -47.95 76.31 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.954 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -68.18 -40.46 82.26 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -54.53 -49.01 71.26 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.253 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.31 -43.63 90.42 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.391 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.56 76.14 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.023 0.439 . . . . 0.0 111.085 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.18 -22.1 65.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.832 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.5 m -79.51 -3.35 46.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.22 25.01 17.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.79 151.14 46.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.876 0.338 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 91.6 p -109.47 -2.28 17.79 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.788 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -48.72 149.95 2.8 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 17.8 Cg_endo -57.72 -36.9 98.24 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 C-N-CA 121.396 1.398 . . . . 0.0 111.552 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -68.22 -30.98 70.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 71.6 m -68.66 -54.11 18.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.797 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -67.46 -37.59 83.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 993' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 6.7 mmp_? -62.91 -40.49 97.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 994' ' ' TYR . . . . . 0.418 ' CG ' HD21 ' A' ' 978' ' ' LEU . 44.0 t80 -62.34 -46.76 87.23 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -58.75 -41.19 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.0 96.54 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.885 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.535 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 51.1 t90 -55.83 -40.85 73.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.4 -40.43 97.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.08 -45.88 91.43 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.351 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.33 -40.18 96.59 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.33 0.586 . . . . 0.0 109.726 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -61.28 -45.82 92.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.728 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.8 0.333 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 953' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 41.1 p-10 -62.29 -38.37 89.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.513 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 954' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 8.9 p-10 -72.5 -37.94 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.879 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -69.46 -40.86 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -61.95 -43.65 98.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.25 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -66.18 -39.81 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.216 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.625 ' CE2' HD11 ' A' ' 963' ' ' ILE . 26.7 t90 -65.58 -46.33 79.8 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.149 0.499 . . . . 0.0 110.121 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.483 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.4 mm-40 -63.97 -38.98 93.05 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.189 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -65.32 -36.71 84.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.188 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.4 tt -68.98 -38.73 78.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.625 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -61.02 -43.8 96.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.858 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -63.07 -38.72 92.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.525 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -58.45 -44.92 89.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.865 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.517 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 43.7 m95 -76.8 -3.25 37.39 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.86 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.36 17.25 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.125 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -132.44 -141.9 0.21 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 969' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 969' ' ' GLU . 1.9 pm0 -144.15 130.71 20.02 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.713 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.517 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 5.8 ptm -140.66 147.37 39.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.069 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.5 p -79.55 168.64 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.28 0.562 . . . . 0.0 111.92 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.5 -44.26 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.074 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -54.31 -40.52 68.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -61.6 -45.03 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.576 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 979' ' ' LYS . 91.3 mt -62.59 -35.47 79.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -67.61 -35.84 79.71 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.13 -45.36 77.36 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.038 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 43.8 pttt -66.81 -44.34 81.44 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 85.3 tt0 -56.14 -50.78 70.17 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.313 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.85 -47.1 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.848 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.66 -49.25 73.96 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.795 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.43 -26.35 68.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.323 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 90.1 p -78.37 -0.84 30.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 92.07 27.42 16.19 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.129 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.2 142.05 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 45.0 m -97.26 -4.74 38.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -43.18 150.04 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.07 -32.69 91.98 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.577 1.518 . . . . 0.0 110.749 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -65.46 -42.07 92.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.929 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.3 t -63.4 -51.09 67.27 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.93 -37.41 81.61 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.11 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.35 -39.44 94.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 994' ' ' TYR . . . . . 0.489 ' CE2' HD11 ' A' ' 998' ' ' LEU . 50.8 t80 -61.61 -44.34 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.712 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -61.12 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.82 86.33 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.525 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 53.9 t90 -55.36 -41.3 72.36 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 998' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 994' ' ' TYR . 77.5 mt -63.51 -38.89 92.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.09 99.68 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.955 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.29 -43.94 95.83 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.45 -43.16 99.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.952 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.737 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.07 -40.16 92.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 954' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 18.1 p-10 -72.73 -43.56 62.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.462 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.6 -40.96 98.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.037 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -60.23 -44.2 95.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.56 -41.56 98.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.206 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 958' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 958' ' ' GLU . 0.2 OUTLIER -63.76 -37.67 88.23 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.47 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.4 t90 -63.73 -48.4 77.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.166 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.47 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 87.6 mm-40 -65.41 -38.38 89.76 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.651 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -66.2 -36.03 81.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -68.85 -38.99 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.0 mt -61.27 -42.6 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.393 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.38 -41.58 85.13 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.466 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 40.8 t0 -64.34 -44.34 91.76 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.634 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -75.33 -2.18 27.14 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 52.76 14.92 0.47 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -137.15 140.31 41.75 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.25 137.05 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 111.984 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 11.6 mtm -134.92 -177.14 4.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.996 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.458 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 43.2 p -118.76 160.51 21.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.423 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.417 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -52.98 -40.56 63.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.907 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -62.59 -43.34 99.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.08 -45.63 92.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.817 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.0 -39.03 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.296 0.569 . . . . 0.0 109.801 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.73 -39.27 84.27 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.841 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.82 -45.8 77.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.117 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 50.6 pttt -66.69 -43.32 84.73 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 50.3 tp10 -53.24 -50.67 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.596 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.14 -50.33 70.86 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.684 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.54 73.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.539 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.84 -23.38 66.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 16.9 t -78.69 3.01 17.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.315 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.14 25.41 24.34 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.92 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.39 145.67 50.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.274 0.537 . . . . 0.0 109.989 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 83.6 p -106.1 -3.46 21.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.372 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.17 150.22 0.4 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.908 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.3 Cg_endo -57.31 -30.83 89.08 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.767 1.645 . . . . 0.0 110.912 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.95 -26.41 61.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.048 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 991' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 20.7 p -73.77 -53.62 9.88 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.637 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 992' ' ' GLN . . . . . 0.428 ' N ' ' OG ' ' A' ' 991' ' ' SER . 1.4 pt20 -64.97 -39.98 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 993' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 28.2 mmt180 -64.26 -41.48 96.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.922 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.34 -44.27 95.36 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -60.25 -41.32 92.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.67 95.84 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.506 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.466 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 55.8 t90 -53.88 -41.28 67.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.247 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.5 -40.16 96.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.34 -48.94 77.61 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.24 -41.2 96.48 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -60.18 -43.02 96.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.332 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.569 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.689 0.28 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.61 -43.53 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.2 -42.07 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.67 -36.3 83.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.87 -45.74 89.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.13 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.2 -37.21 86.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.45 -45.56 92.53 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.473 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.7 t90 -66.13 -47.33 74.43 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.44 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.473 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.8 mm-40 -62.71 -40.26 96.59 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.341 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.31 -36.03 82.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.767 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.0 -36.9 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 959' ' ' TRP . 74.8 mt -61.99 -43.57 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -61.08 -41.21 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.663 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.03 -45.56 92.4 Favored 'General case' 0 CA--C 1.533 0.288 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.134 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 40.6 m95 -77.39 -3.41 40.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.328 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 54.32 19.48 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -145.97 146.31 30.97 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.847 0.356 . . . . 0.0 110.15 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -74.26 137.36 42.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.909 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.8 ptm -150.41 153.69 36.42 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.182 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 971' ' ' THR . . . . . . . . . . . . . 63.6 p -79.84 166.63 21.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 0.0 112.129 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -62.71 -43.72 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.379 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.93 -46.91 64.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.712 HE21 ' CA ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -55.05 -45.17 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.35 -44.75 96.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 109.88 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.675 ' O ' HD23 ' A' ' 976' ' ' LEU . 4.9 tt -60.83 -42.46 97.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.277 0.561 . . . . 0.0 110.054 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.78 -35.98 81.62 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.863 -0.735 . . . . 0.0 109.256 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.96 -45.52 77.48 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -67.01 -42.58 84.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.51 -51.17 69.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.043 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.43 -47.84 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.632 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.82 76.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.947 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.11 -22.53 66.4 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.346 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.7 t -78.83 -2.2 38.55 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.35 27.81 12.66 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.508 -0.377 . . . . 0.0 112.406 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.84 48.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.28 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 32.2 t -99.58 -2.37 35.85 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.45 148.97 0.4 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.927 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.44 ' C ' ' HE ' ' A' ' 993' ' ' ARG . 22.8 Cg_endo -60.23 -30.13 90.53 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.007 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 990' ' ' ASP . . . . . 0.456 ' OD1' ' NH2' ' A' ' 993' ' ' ARG . 74.2 m-20 -71.68 -33.15 68.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -50.61 39.62 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.206 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.06 96.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.63 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 993' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 990' ' ' ASP . 82.6 mtm180 -63.84 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -61.99 -45.58 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.274 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -61.94 -41.52 98.05 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.02 93.46 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -53.74 -41.23 66.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.49 -46.7 84.94 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.733 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.45 -40.73 92.2 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -59.03 -43.95 91.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.326 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.88 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.779 0.323 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -58.66 -39.62 81.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.039 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -69.31 -39.87 78.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.2 -37.92 81.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.182 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.86 -43.76 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.063 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.28 -38.34 90.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.391 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.46 -44.15 91.97 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.455 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 24.7 t90 -62.76 -47.7 82.39 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.043 0.449 . . . . 0.0 110.201 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.455 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 92.7 mm-40 -64.55 -38.5 91.24 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.515 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.34 -38.73 91.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.52 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 959' ' ' TRP . 5.4 tt -68.47 -37.46 77.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.419 HD11 ' CE2' ' A' ' 959' ' ' TRP . 85.8 mt -61.44 -43.46 96.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -58.44 -42.09 86.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.11 -40.66 98.27 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -74.52 -3.16 29.17 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 53.62 34.74 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.746 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 968' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 969' ' ' GLU . 10.7 ptmm? -153.39 -146.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 969' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' A' ' 968' ' ' LYS . 16.2 tm-20 -141.39 137.32 32.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -145.71 -171.93 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.732 179.049 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.516 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 73.0 p -117.96 163.46 16.54 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.03 0.443 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.8 t -59.7 -43.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.617 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -53.6 -44.01 69.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -60.02 -47.9 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.33 -44.16 95.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -40.34 92.76 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.649 0.738 . . . . 0.0 109.932 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.33 -43.41 81.63 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.404 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.47 -48.22 78.6 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.771 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -65.89 -35.54 80.91 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.1 -54.66 40.29 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.161 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -65.23 -43.68 90.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.516 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.15 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.488 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.97 -22.41 65.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.4 p -78.23 -3.73 44.18 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.6 28.32 10.5 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.43 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.438 ' HB1' ' OD2' ' A' ' 988' ' ' ASP . . . -69.83 153.46 43.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.04 0.42 . . . . 0.0 110.056 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 86.6 p -107.23 0.95 23.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.422 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 988' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 991' ' ' SER . 2.2 p30 -50.02 148.8 5.48 Favored Pre-proline 0 C--N 1.332 -0.168 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -57.85 -33.24 96.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.66 1.573 . . . . 0.0 111.846 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.02 -35.83 80.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 991' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 5.4 t -68.1 -52.54 33.86 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.799 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.68 -41.03 92.91 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.189 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.37 -40.12 95.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 109.945 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.19 -44.78 96.75 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -61.46 -41.91 97.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.32 96.01 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.619 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -53.79 -42.17 68.06 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.94 -39.99 96.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.034 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.63 -45.45 92.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -73.37 -31.87 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.398 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.747 -179.645 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.46 -42.94 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.87 -43.95 86.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.203 0.525 . . . . 0.0 110.012 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.37 -37.66 80.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.83 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.05 -44.95 94.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.353 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 957' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 957' ' ' ASP . 67.4 t0 -63.69 -38.17 90.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -66.26 -42.88 87.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.429 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -63.85 -47.95 78.7 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.843 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.429 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.7 mm-40 -57.24 -39.56 75.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.433 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.85 -35.86 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.275 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.59 -37.64 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.41 -45.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.97 -39.59 90.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.317 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 57.9 t0 -61.76 -46.71 88.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.275 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 29.3 m95 -76.32 -4.53 42.6 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.864 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 54.34 15.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.99 152.6 39.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.13 138.31 47.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.142 0.496 . . . . 0.0 111.733 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.9 OUTLIER -137.87 -166.31 1.94 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.442 ' O ' ' SD ' ' A' ' 970' ' ' MET . 82.1 p -119.88 156.85 29.93 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.189 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.3 t -62.11 -42.62 95.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -48.63 -48.48 39.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.965 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.711 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -62.6 -47.8 82.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.081 0.467 . . . . 0.0 110.675 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.3 -40.67 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -68.63 -38.69 80.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.495 0.664 . . . . 0.0 109.517 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.51 -48.59 76.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.633 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -44.82 69.59 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.202 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -53.22 -52.7 58.06 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.92 -47.61 84.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.03 75.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.429 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.05 -24.77 67.83 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.233 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.96 -2.33 39.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.826 0.346 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.81 24.05 16.49 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.324 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.47 146.64 53.78 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.909 0.355 . . . . 0.0 110.282 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 88.4 p -104.31 -3.06 24.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.6 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -43.1 149.99 0.49 Allowed Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.49 -33.3 97.89 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.51 1.474 . . . . 0.0 110.805 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.81 -38.85 90.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.471 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.8 t -66.18 -51.31 59.0 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.36 -38.65 91.78 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.414 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -39.88 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.44 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -61.22 -41.02 96.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.367 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.74 89.4 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 61.0 t90 -53.79 -41.77 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -39.29 93.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.89 -49.79 76.45 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.47 -42.74 99.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -60.6 -44.89 95.76 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.256 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.074 -178.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.668 0.27 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.16 -41.6 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.13 -41.22 97.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.35 0.595 . . . . 0.0 109.429 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -68.79 -41.3 78.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.644 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.1 -45.19 95.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.902 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -64.37 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.832 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.25 -41.22 97.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.908 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' A' ' 963' ' ' ILE . 18.6 t90 -64.92 -49.51 70.14 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.451 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 95.0 mm-40 -62.94 -39.73 95.5 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.352 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.32 -37.93 89.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.312 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.6 tt -68.84 -38.08 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 959' ' ' TRP . 68.8 mt -60.97 -43.63 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.409 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -60.88 -39.67 90.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.24 -43.74 95.84 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.309 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -75.77 -2.54 30.3 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.946 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 58.76 15.59 3.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.237 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.99 143.87 29.75 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.08 136.74 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.294 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.9 mtm -138.8 -179.75 6.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.813 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 971' ' ' THR . . . . . . . . . . . . . 31.9 p -118.85 164.52 15.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.02 -42.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.282 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -54.58 -48.53 72.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.612 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.35 -41.24 93.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.077 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -41.8 89.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.743 0.783 . . . . 0.0 109.124 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.82 -42.17 95.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.25 -48.75 76.89 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.073 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 983' ' ' LEU . 0.3 OUTLIER -66.08 -35.67 81.15 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.483 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -63.04 -53.94 45.88 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -60.92 -46.15 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.42 85.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 111.173 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 979' ' ' LYS . 1.7 mp -62.61 -26.6 68.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 14.5 m -78.02 -3.14 40.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.618 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 88.92 27.24 24.4 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.341 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.87 144.26 56.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.308 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.1 m -90.97 -8.85 48.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -40.66 148.94 0.34 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.4 -30.99 92.09 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.065 1.843 . . . . 0.0 111.327 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -70.16 -31.51 69.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.7 t -71.17 -51.77 22.96 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.265 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.822 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.92 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.84 -45.02 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.061 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -60.83 -41.83 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.62 94.02 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.466 -0.493 . . . . 0.0 109.903 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -53.63 -41.85 67.16 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.82 -37.79 88.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.77 -40.65 97.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.08 -42.22 98.09 Favored 'General case' 0 N--CA 1.458 -0.057 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -65.22 -44.28 88.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.844 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.687 -178.805 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 . . . . . 0 N--CA 1.459 -0.02 0 CA-C-O 120.721 0.295 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.82 -46.42 84.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -64.12 -42.29 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.85 -37.45 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.145 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.53 -44.58 89.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.118 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.91 -38.24 90.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.176 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.76 -41.69 95.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.536 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.5 t90 -65.48 -46.92 77.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.074 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.536 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 61.1 mm-40 -64.57 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.157 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.16 -38.08 89.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.07 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -67.91 -37.78 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -59.9 -43.94 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -60.59 -41.25 94.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -61.6 -43.64 98.49 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.612 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.0 m95 -78.18 -3.55 43.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.432 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 53.52 14.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -139.1 147.14 41.57 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -76.59 137.74 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 112.03 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.1 ptm -145.91 170.18 17.1 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.411 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.404 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 80.8 p -92.42 163.72 13.75 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 111.824 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.79 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.623 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.34 -44.25 68.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.65 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.02 -39.11 84.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -62.14 -44.43 96.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.153 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -66.79 -36.5 82.54 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.791 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.44 -46.98 80.83 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 46.2 pttt -69.9 -45.77 66.87 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.514 -0.475 . . . . 0.0 109.867 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 80.4 tt0 -51.02 -51.67 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.29 -47.27 85.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.582 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.62 77.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.124 0.488 . . . . 0.0 111.591 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.79 -26.07 68.47 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.918 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.2 p -79.24 -1.23 35.52 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.335 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.5 26.1 16.5 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.294 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.5 141.99 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.419 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 67.9 m -98.98 -6.95 27.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.19 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.32 149.47 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -58.95 -31.31 95.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.751 1.634 . . . . 0.0 111.014 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -66.9 -38.4 86.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 4.9 t -69.28 -52.12 30.58 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.13 -38.69 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.344 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -64.22 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.42 -45.52 93.98 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.85 -40.79 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.77 97.18 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 62.0 t90 -54.6 -41.44 69.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.33 -38.91 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.4 -43.89 96.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.21 -42.41 98.55 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -60.85 -42.51 97.95 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.592 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.965 179.431 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -44.25 95.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -65.91 -41.83 90.95 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.47 -40.56 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.64 -42.84 97.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.294 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.37 -39.49 94.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.79 -40.1 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 963' ' ' ILE . 28.4 t90 -65.97 -45.55 81.32 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.481 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 69.4 mm-40 -63.07 -40.01 96.42 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.68 -37.49 87.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.348 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.3 tt -68.32 -37.53 78.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.634 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.0 mt -59.47 -43.95 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.226 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -62.29 -38.46 89.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.69 -42.8 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.588 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 60.0 m95 -80.28 -1.06 39.21 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.348 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 56.6 14.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.549 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -147.95 156.21 42.41 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.23 148.16 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.257 0.551 . . . . 0.0 112.224 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.588 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 4.8 ptm -153.77 156.76 38.34 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.602 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.8 p -81.72 163.54 22.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.246 0.546 . . . . 0.0 111.665 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.8 t -65.99 -43.32 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.934 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.51 -40.03 65.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.027 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.65 -41.17 89.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -60.62 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.039 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.13 -41.39 98.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.204 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -66.62 -40.57 88.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.95 -45.96 83.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.078 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 7.8 pttp -69.96 -41.6 74.29 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 78.5 tt0 -54.8 -50.05 69.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.11 -44.17 93.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.45 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.85 91.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.77 -24.53 63.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 33.1 t -78.79 -4.35 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.93 28.02 14.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.5 151.43 47.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 0.38 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.95 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.66 148.89 4.76 Favored Pre-proline 0 C--N 1.331 -0.217 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.08 -34.82 98.92 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.622 1.548 . . . . 0.0 111.394 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.7 -28.01 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 3.3 t -71.02 -52.86 17.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.419 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.34 -39.59 89.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.642 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -64.83 -39.86 94.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.887 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -62.28 -50.72 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.49 -40.67 79.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.02 75.66 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -56.82 -40.85 76.75 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.83 -40.11 95.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.52 -42.42 99.51 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.786 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.21 -42.08 94.37 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -60.11 -43.14 95.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.464 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -55.65 -42.35 74.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 954' ' ' ASP . . . . . 0.434 ' O ' ' OE2' ' A' ' 958' ' ' GLU . 47.1 t0 -64.19 -45.79 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.9 -38.69 91.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 110.749 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.179 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.84 -40.3 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.745 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 958' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 954' ' ' ASP . 0.7 OUTLIER -66.02 -42.35 89.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.711 -179.499 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.423 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 19.4 t90 -63.73 -51.22 65.94 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.423 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -56.15 -40.05 73.23 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.094 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -64.32 -34.96 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -65.11 -40.52 89.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.27 -43.83 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.0 -40.93 81.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.615 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -63.43 -45.74 89.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.114 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.401 ' NE1' HG12 ' A' ' 962' ' ' ILE . 23.5 m95 -81.15 -5.13 57.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.94 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 50.96 21.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -141.33 149.13 40.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.78 0.324 . . . . 0.0 110.241 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.72 140.34 51.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.726 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 971' ' ' THR . 1.3 ppp? -147.1 -170.88 3.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.329 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 23.4 p -119.97 157.9 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 0.0 111.079 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.17 -42.59 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.437 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -50.46 -49.6 54.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.177 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.81 -41.65 82.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.445 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.486 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.473 HD13 ' HD3' ' A' ' 979' ' ' LYS . 2.4 mm? -62.01 -39.41 92.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.68 -42.06 91.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.09 -48.59 75.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.148 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.473 ' HD3' HD13 ' A' ' 976' ' ' LEU . 17.9 ptmt -69.41 -40.79 77.09 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.15 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.55 -51.59 66.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.221 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.75 -47.74 79.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.753 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.71 66.54 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.408 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.78 -24.61 67.83 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.148 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.74 -3.74 45.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.705 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 97.94 27.29 9.0 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.27 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.77 153.58 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.104 0.452 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 19.2 m -111.7 -5.0 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.088 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -44.67 150.1 0.72 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.878 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -33.14 96.69 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.86 1.707 . . . . 0.0 111.525 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.17 -34.36 77.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.643 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.4 t -70.89 -51.91 23.35 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.838 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.52 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.458 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.08 -38.11 89.69 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.3 -44.68 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.578 . . . . 0.0 109.93 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -60.24 -41.31 92.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.06 95.73 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.597 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -53.21 -41.37 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.98 -40.41 97.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.48 -42.71 99.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.834 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.89 -41.86 98.39 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -61.05 -45.27 95.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.648 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.862 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.666 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -60.16 -44.5 94.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.82 -40.44 88.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 0.0 110.377 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.91 -40.35 94.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.072 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -60.01 -43.89 94.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.36 -39.74 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.105 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -65.61 -39.28 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.949 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.568 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 30.1 t90 -62.09 -47.99 82.19 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.568 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 60.8 mm-40 -58.38 -38.91 78.26 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.852 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.9 -35.73 81.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.18 -40.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.51 HD11 ' CZ2' ' A' ' 959' ' ' TRP . 44.2 mt -60.82 -43.48 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -57.2 -42.78 81.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 965' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 997' ' ' TRP . 17.7 t70 -61.8 -43.78 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.029 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 45.0 m95 -77.81 -3.06 39.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.067 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 49.92 20.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.536 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.01 153.36 41.4 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -76.1 130.55 38.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.578 . . . . 0.0 111.749 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.418 ' C ' ' SD ' ' A' ' 970' ' ' MET . 3.5 ppp? -145.82 154.85 42.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.944 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.479 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 65.6 p -83.13 167.31 17.91 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -177.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.5 -43.35 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.876 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.31 -46.33 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.56 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -52.74 -44.89 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -61.32 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.82 -37.9 86.14 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.309 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.4 tp -62.57 -49.08 76.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.462 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 10.2 ptmm? -68.13 -43.99 77.09 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.02 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 81.2 tt0 -53.15 -49.62 66.23 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.302 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.01 -48.69 75.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.59 -50.55 72.16 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.587 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.03 -25.91 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.507 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 11.9 t -78.05 0.22 25.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.853 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.9 29.09 21.7 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.889 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.85 145.73 53.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.117 0.484 . . . . 0.0 110.999 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 -4.04 35.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.2 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.48 150.85 0.49 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.29 -29.99 87.14 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.925 1.75 . . . . 0.0 111.436 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.45 -28.71 61.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.498 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.0 t -70.8 -49.7 43.61 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.0 94.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.34 -37.07 85.85 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -59.88 -43.09 94.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.14 93.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.554 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.405 ' CD1' ' OD1' ' A' ' 965' ' ' ASP . 71.3 t90 -55.61 -41.53 73.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.57 -40.74 97.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.33 -43.43 96.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.56 -43.41 97.29 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.54 -42.9 88.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.668 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -56.46 -45.05 81.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.103 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.29 -45.53 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 111.011 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -65.59 -38.46 89.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.256 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.94 -42.03 97.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -63.97 -34.93 79.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.235 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 958' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' A' ' 962' ' ' ILE . 12.8 tm-20 -66.2 -42.46 88.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.454 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.621 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.7 t90 -64.28 -48.31 76.17 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.419 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 93.5 mm-40 -63.66 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.586 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.04 -39.74 95.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.497 ' CD1' ' CE3' ' A' ' 997' ' ' TRP . 1.0 OUTLIER -68.09 -38.08 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.559 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 959' ' ' TRP . 84.5 mt -59.5 -44.19 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.553 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.02 -42.07 93.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.15 -46.52 90.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.522 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.6 m95 -76.71 -3.24 37.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.398 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 53.49 17.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.355 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -141.1 151.05 43.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.12 132.23 35.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.264 0.554 . . . . 0.0 112.394 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.9 ptm -138.03 144.95 41.27 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.552 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.7 p -77.6 166.5 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.706 0.765 . . . . 0.0 112.102 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.97 -42.45 96.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.747 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.25 -41.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.974 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.39 -37.73 84.46 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.26 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 976' ' ' LEU . 4.1 mm? -62.27 -42.56 99.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.025 0.44 . . . . 0.0 109.84 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 977' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 977' ' ' ASP . 67.0 t0 -67.85 -39.43 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.279 0.562 . . . . 0.0 110.449 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.07 -44.78 87.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.893 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 8.0 pttp -69.23 -44.79 71.31 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 84.8 tt0 -51.0 -51.48 52.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.753 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.24 -45.56 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.519 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.31 -51.95 65.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.59 -23.83 67.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.024 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 2.4 t -79.03 -1.62 36.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.19 25.43 19.32 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.936 -0.465 . . . . 0.0 111.936 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.14 146.51 54.56 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.299 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 100.0 p -109.19 2.07 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.157 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.71 150.51 2.5 Favored Pre-proline 0 C--N 1.333 -0.128 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.39 -41.07 80.1 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 121.187 1.258 . . . . 0.0 111.327 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.271 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 50.6 m -65.4 -50.67 64.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.97 -35.87 81.75 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.982 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.43 -39.55 94.04 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.71 -46.89 87.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.123 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.55 -42.18 91.78 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.4 96.51 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.392 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.497 ' CE3' ' CD1' ' A' ' 962' ' ' ILE . 73.4 t90 -53.09 -40.71 64.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.85 -40.68 98.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.07 -46.18 82.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.716 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.12 -42.5 94.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -60.02 -43.17 95.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.764 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.183 -179.821 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.457 -0.102 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.59 -44.14 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.155 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -43.15 95.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.07 -41.52 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -63.24 -40.7 98.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.311 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.33 -35.91 81.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.547 ' CE2' HD11 ' A' ' 963' ' ' ILE . 32.7 t90 -65.83 -44.1 86.59 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.526 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.3 mm-40 -65.6 -38.03 88.3 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.823 178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -66.22 -37.16 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.49 -37.18 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.3 mt -59.44 -44.95 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -60.84 -40.45 92.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.1 -46.64 82.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.384 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 966' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 21.0 m95 -82.46 -4.49 57.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 49.88 20.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -137.7 151.79 48.6 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -77.42 144.0 38.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 111.209 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 970' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.7 OUTLIER -152.03 162.48 41.03 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 179.202 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.484 ' O ' ' SD ' ' A' ' 970' ' ' MET . 80.4 p -86.85 161.47 18.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.138 0.494 . . . . 0.0 111.658 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.67 -42.9 93.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.644 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -56.07 -44.59 79.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.186 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.69 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -58.87 -42.41 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.5 -44.46 96.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.161 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -60.86 -38.98 87.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.69 0.757 . . . . 0.0 109.062 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.126 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.42 -47.21 82.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.097 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -69.41 -41.67 76.07 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.956 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.33 -46.89 73.0 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.141 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 981' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 986' ' ' ALA . 81.5 mtp180 -64.32 -47.48 79.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.81 -48.4 76.98 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 111.68 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -25.93 67.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 23.0 t -79.0 -1.1 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.13 29.02 18.81 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 981' ' ' ARG . . . -64.17 151.33 43.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 9.8 t -109.31 -9.85 14.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.804 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 988' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 991' ' ' SER . 1.5 p30 -50.13 148.87 5.6 Favored Pre-proline 0 N--CA 1.463 0.184 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.432 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.17 -33.03 95.14 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.865 1.71 . . . . 0.0 112.152 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.5 -35.84 82.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 991' ' ' SER . . . . . 0.52 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 20.7 m -70.98 -53.34 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.235 -178.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.25 -38.47 91.29 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.427 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 993' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 22.0 mmt85 -62.56 -41.5 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.86 -47.06 88.12 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.53 -40.73 79.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.19 94.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.911 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 53.8 t90 -54.33 -41.83 69.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.41 -40.89 98.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.77 -44.9 95.97 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.331 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.76 -42.26 98.75 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -59.55 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.928 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.63 -46.12 87.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.548 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.89 -42.71 97.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.443 . . . . 0.0 110.177 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.05 -37.05 80.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.2 -42.89 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.549 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.24 -36.98 85.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.894 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.1 -41.16 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.361 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.612 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.5 t90 -65.21 -46.45 80.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.504 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.0 mm-40 -64.2 -36.26 83.48 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.882 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.01 -38.37 90.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 962' ' ' ILE . 2.9 tt -68.86 -38.16 78.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 959' ' ' TRP . 89.1 mt -61.33 -43.36 96.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -60.69 -40.64 92.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.287 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.09 -46.04 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -78.25 -3.49 43.08 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 50.84 24.21 1.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.15 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.86 -137.32 0.16 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -145.09 143.72 30.56 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.411 0.624 . . . . 0.0 111.588 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.08 158.37 30.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.739 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 76.4 p -86.02 165.9 16.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.482 0.658 . . . . 0.0 112.535 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.68 -43.32 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.859 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.25 -40.49 64.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.247 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.1 OUTLIER -60.35 -41.66 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.78 -44.29 97.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.336 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -60.39 -40.95 92.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.34 -42.48 92.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.973 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.28 -46.69 82.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.356 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 979' ' ' LYS . . . . . 0.423 ' HD3' HD22 ' A' ' 976' ' ' LEU . 17.3 ptmt -69.67 -42.14 74.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.025 0.44 . . . . 0.0 110.158 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 980' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 44.5 tt0 -57.05 -50.99 71.06 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.339 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -63.65 -47.78 79.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.297 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.85 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.621 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.9 -21.41 66.0 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 28.0 t -79.1 -2.3 39.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.428 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.21 25.84 15.59 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.72 147.11 52.3 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.0 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.4 p -102.94 -1.37 29.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.039 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -46.89 150.32 1.34 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.804 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.36 -29.75 89.5 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 121.909 1.74 . . . . 0.0 111.223 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -71.21 -32.07 68.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.6 t -69.84 -51.1 36.37 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.274 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.29 -38.29 90.56 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -60.73 -43.54 97.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -60.37 -41.15 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.27 96.51 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.799 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -54.25 -42.17 69.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.07 -39.5 94.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.96 -42.43 97.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.39 -42.13 95.27 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -61.85 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.633 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.783 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 953' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 1.6 p30 -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.834 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 954' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 38.1 t70 -65.64 -39.92 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.258 0.551 . . . . 0.0 109.988 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.43 -38.1 80.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.9 -44.05 91.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.052 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -62.45 -39.71 94.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.36 -39.2 92.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 959' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.1 t90 -64.24 -48.95 73.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.64 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 960' ' ' GLN . . . . . 0.412 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 82.7 mm-40 -61.96 -36.67 82.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.246 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.95 -37.59 86.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.576 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 962' ' ' ILE . . . . . 0.489 HD13 ' CE3' ' A' ' 997' ' ' TRP . 4.0 tp -70.43 -37.96 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.035 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.5 mt -61.16 -42.85 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.19 -41.0 92.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.288 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.16 -42.45 94.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.241 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -74.54 -1.91 23.5 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.255 0.55 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 55.87 26.82 10.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.179 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -147.3 -152.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.84 136.25 54.26 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.762 0.315 . . . . 0.0 111.216 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 6.5 mtm -136.89 -173.07 3.34 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.179 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 971' ' ' THR . . . . . 0.454 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 43.0 p -118.83 159.16 24.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.86 -43.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -52.79 -49.05 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.42 -45.47 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.49 -44.65 96.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.76 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 976' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -59.04 -43.24 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.58 -179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 977' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 977' ' ' ASP . 65.3 t0 -66.49 -35.3 79.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.11 0.481 . . . . 0.0 110.21 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.55 -46.47 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.063 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.62 -41.85 71.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.92 -47.72 74.02 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.399 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -64.95 -45.14 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.94 67.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 111.276 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.76 -22.29 66.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.641 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 27.0 t -79.58 -1.98 40.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.57 17.18 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.44 147.98 52.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 111.022 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 58.4 m -103.7 -5.59 22.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.746 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -45.98 148.19 1.51 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.21 -32.96 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.764 1.642 . . . . 0.0 111.343 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.46 -27.76 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.163 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 36.9 m -71.69 -50.49 29.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -39.57 88.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -62.58 -41.78 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.042 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -62.09 -44.46 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.59 -42.33 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.614 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 997' ' ' TRP . . . . . 0.489 ' CE3' HD13 ' A' ' 962' ' ' ILE . 68.3 t90 -53.29 -41.34 65.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.94 -40.05 95.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.3 -47.66 83.29 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.89 -40.17 94.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -60.29 -47.62 85.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.275 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.088 -179.766 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 948' ' ' ALA . . . 51.64 -173.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.313 . . . . 0.0 110.369 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 23.5 mmt 42.64 24.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 946' ' ' ALA . . . -62.4 149.84 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.086 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 34.8 pt -64.46 139.46 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.512 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -123.36 25.65 8.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.37 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.98 149.94 44.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.211 0.529 . . . . 0.0 110.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -74.64 172.93 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.43 -45.65 92.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -67.47 -40.98 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 0.0 110.651 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.0 -38.8 92.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.792 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.18 -44.28 92.16 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.85 -39.34 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.745 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.29 -43.72 93.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.235 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 962' ' ' ILE . 21.1 t90 -65.56 -46.77 78.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.156 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.407 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.8 mm-40 -64.03 -37.07 86.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.226 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.84 -36.95 81.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.3 tt -66.06 -39.04 83.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 967' ' ' ARG . 78.1 mt -60.66 -43.37 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.283 178.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -57.87 -40.52 80.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.29 -44.67 96.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.376 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -85.36 -4.89 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 967' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 963' ' ' ILE . 91.0 mtt-85 50.88 15.8 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.636 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -134.95 135.67 41.67 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.15 128.01 34.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.029 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 971' ' ' THR . 2.5 ppp? -125.52 162.0 25.89 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.078 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.483 ' O ' ' SD ' ' A' ' 970' ' ' MET . 25.7 p -86.03 155.04 21.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.275 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.64 -42.02 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.405 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -52.36 -48.59 65.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.71 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.21 -42.5 81.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.102 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -60.2 -45.32 93.57 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.218 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.95 -40.06 94.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.246 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -64.91 -41.86 95.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.79 -48.85 72.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.937 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 39.9 pttt -67.75 -42.58 81.58 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.2 tt0 -52.01 -52.42 50.82 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.942 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.85 -44.86 88.39 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.617 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.87 71.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.076 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 983' ' ' LEU . 6.1 mp -65.58 -24.78 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 29.5 t -78.26 3.64 14.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.75 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.05 28.68 25.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.65 145.75 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.977 0.389 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 49.8 m -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.938 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -43.66 148.85 0.67 Allowed Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.03 -31.58 91.26 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.916 1.744 . . . . 0.0 111.55 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.22 -27.68 63.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.636 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 2.4 t -73.02 -52.78 13.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.511 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -37.58 87.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -65.97 -39.15 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.25 -46.3 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.241 0.543 . . . . 0.0 109.839 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -59.27 -39.41 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.04 95.9 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.35 -39.42 70.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.35 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.33 -44.22 88.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.5 -43.3 99.12 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -58.74 -41.33 86.24 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.791 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.658 ' O ' HD22 ' A' 1005 ' ' LEU . 99.8 mttt -71.98 -34.93 69.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -79.91 102.89 9.44 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.338 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.658 HD22 ' O ' ' A' 1003 ' ' LYS . 1.0 OUTLIER -97.05 159.3 14.99 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.913 0.387 . . . . 0.0 110.044 179.053 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.966 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 948' ' ' ALA . . . -65.37 146.57 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.389 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 56.1 mtm 41.85 24.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.961 0.41 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 946' ' ' ALA . . . -75.48 1.16 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.741 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.072 0.463 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . 61.05 25.57 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 950' ' ' ALA . 6.9 mp 54.18 167.04 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.093 0.473 . . . . 0.0 110.199 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 952' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 952' ' ' ARG . 0.1 OUTLIER -76.37 166.26 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.065 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.45 -39.7 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.079 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.58 -42.55 78.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.053 0.454 . . . . 0.0 109.923 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -68.84 -37.67 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.415 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.8 -42.59 89.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.17 -38.31 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.37 -44.16 88.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.507 ' CE2' HD11 ' A' ' 963' ' ' ILE . 22.5 t90 -61.32 -49.29 77.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.442 . . . . 0.0 109.868 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.422 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.9 mm-40 -61.93 -37.05 83.23 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.36 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -65.23 -36.0 82.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 997' ' ' TRP . 3.2 tp -69.92 -38.54 75.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.507 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.7 mt -60.11 -42.53 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 964' ' ' ARG . . . . . 0.569 HH22 HH12 ' A' 1004 ' ' ARG . 73.1 ttp85 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.34 -42.9 96.66 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.608 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -76.99 -0.63 25.16 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.926 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 52.29 42.62 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -162.48 -157.48 0.46 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -118.67 134.64 54.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.925 0.393 . . . . 0.0 111.223 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.5 mtm -136.48 -174.82 3.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.475 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.455 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 21.6 p -120.13 157.05 29.8 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.992 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -50.18 -44.46 52.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.646 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.03 -44.22 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -44.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -40.95 95.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -67.3 -37.97 84.24 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.61 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.25 -46.66 79.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.101 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 47.9 pttt -69.24 -44.2 72.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 37.7 tp10 -53.66 -51.83 61.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -64.62 -44.51 90.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.018 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.69 65.19 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.41 -22.52 66.23 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.727 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 18.2 t -79.4 -3.63 47.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.506 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.74 29.57 9.14 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.55 148.35 48.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 99.3 p -104.95 -2.25 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.05 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.82 152.41 1.79 Allowed Pre-proline 0 CA--C 1.531 0.213 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.85 -34.04 98.86 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.855 1.703 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.93 -34.01 76.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.701 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.6 t -69.41 -48.0 62.4 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.0 78.31 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.874 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.33 -39.93 95.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -62.13 -43.07 99.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.779 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -59.21 -42.56 91.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.75 97.81 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.374 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.486 ' CE2' HD12 ' A' ' 962' ' ' ILE . 81.1 t90 -53.62 -40.6 65.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.64 -40.46 97.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -63.51 -43.04 98.33 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.2 -41.87 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -60.58 -46.26 90.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.598 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.43 69.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.407 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -72.87 -44.75 60.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.483 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.569 HH12 HH22 ' A' ' 964' ' ' ARG . 41.5 ptt180 -85.29 30.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.119 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 2.2 tp -56.93 99.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 0.0 110.424 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.62 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.91 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.527 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 93.7 mtp 43.7 43.75 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.589 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -140.15 91.4 2.45 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.537 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 15.9 pt -121.25 145.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.219 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -86.4 23.83 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.26 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 950' ' ' ALA . 9.9 mp 55.24 157.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.167 0.508 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -88.85 164.08 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.642 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -45.75 81.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.2 -42.96 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.09 -38.49 88.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.171 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.61 -44.08 93.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.187 0.518 . . . . 0.0 109.784 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.42 -37.8 87.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.729 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.84 -38.84 89.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.927 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.4 t90 -62.22 -48.05 81.72 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.467 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -63.44 -36.99 85.56 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.99 -39.18 93.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.74 -37.82 78.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 959' ' ' TRP . 70.8 mt -60.28 -43.43 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.294 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.81 -40.32 92.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.441 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 71.5 m95 -75.13 -3.78 34.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.044 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 55.7 20.17 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.579 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -149.28 141.59 24.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.17 135.17 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.735 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 10.2 mtm -132.35 -172.78 2.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.889 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 59.5 p -118.88 160.45 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.904 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.8 -43.2 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -50.18 -48.59 53.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.648 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.553 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.3 OUTLIER -57.24 -48.1 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.15 -43.5 98.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.272 0.558 . . . . 0.0 110.283 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.25 -43.25 96.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.395 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -67.5 -35.68 79.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.596 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.43 -47.2 80.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.556 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -69.16 -37.12 78.06 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.07 -50.23 74.85 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 981' ' ' ARG . . . . . 0.417 ' O ' ' OG ' ' A' ' 984' ' ' SER . 99.6 mtt180 -63.48 -46.62 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.393 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.61 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 111.205 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.82 -21.79 65.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 984' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 96.6 p -79.6 -3.34 46.59 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.469 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.98 29.4 8.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.97 149.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.05 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -112.84 -0.95 14.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.98 150.69 5.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.85 -32.02 93.93 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.733 1.622 . . . . 0.0 111.486 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.25 -32.88 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.091 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 66.8 m -70.58 -52.98 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.22 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.18 -39.3 92.71 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.661 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 993' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 17.9 mmm180 -62.76 -39.07 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.09 -47.16 87.59 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.27 -40.98 87.76 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.55 93.95 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -53.46 -42.38 67.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.24 -47.6 83.66 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.415 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.06 -42.27 94.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' 1004 ' ' ARG . 69.4 ttt-85 -62.36 -44.03 97.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.309 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -56.69 -35.24 68.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.23 -39.29 63.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.67 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' 1001 ' ' ARG . 42.5 ptt85 -123.87 124.38 42.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.146 0.498 . . . . 0.0 111.044 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' 1005 ' ' LEU . 0.6 OUTLIER -174.59 171.51 3.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.117 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.375 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -153.59 -164.92 2.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 947' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 948' ' ' ALA . 69.1 mmm -66.01 -41.8 90.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 947' ' ' MET . . . 42.4 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.599 178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 43.9 pt -135.54 149.66 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.034 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -151.0 42.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.402 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 950' ' ' ALA . 7.1 mp 55.68 157.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.32 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -70.89 173.6 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.139 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.71 -44.76 96.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.17 -42.89 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.802 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.28 -42.45 88.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.168 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.31 -43.87 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 110.132 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.42 -37.43 87.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -66.1 -40.55 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.077 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.746 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.5 t90 -63.13 -45.97 89.44 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.871 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.486 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.6 mm-40 -64.63 -38.08 89.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.984 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.43 -37.67 87.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.632 HD12 ' NE1' ' A' ' 966' ' ' TRP . 0.4 OUTLIER -68.86 -40.13 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.8 mt -59.98 -43.6 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.185 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -60.14 -38.82 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.59 -44.97 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.496 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.632 ' NE1' HD12 ' A' ' 962' ' ' ILE . 31.3 m95 -74.2 -2.33 24.3 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.554 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 52.6 30.8 9.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.011 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -146.1 -149.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.12 141.42 44.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -154.44 175.57 13.42 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 37.3 p -95.92 162.86 13.39 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.532 0.682 . . . . 0.0 112.465 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.46 -42.59 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.184 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.54 -41.81 73.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.371 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.536 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.2 OUTLIER -62.86 -39.68 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.947 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.46 -44.83 95.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.517 ' HA ' ' HZ2' ' A' ' 979' ' ' LYS . 7.8 mp -61.91 -38.59 88.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.671 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.99 -37.64 88.31 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.696 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.97 -47.31 75.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.248 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.517 ' HZ2' ' HA ' ' A' ' 976' ' ' LEU . 19.1 pttm -66.91 -44.99 79.32 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.8 tt0 -53.94 -45.91 71.38 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.566 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -63.29 -47.24 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.86 -47.27 78.51 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.172 0.511 . . . . 0.0 111.219 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.39 -26.01 68.55 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.411 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 1.8 t -79.14 0.13 29.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.822 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.61 29.28 16.71 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.38 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.53 145.49 53.97 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 4.6 t -100.99 -5.48 25.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -42.37 151.21 0.37 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.97 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -59.51 -30.05 91.51 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.378 1.385 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.23 -27.41 62.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.045 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 991' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 16.3 p -71.06 -53.96 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 992' ' ' GLN . . . . . 0.436 ' N ' ' OG ' ' A' ' 991' ' ' SER . 0.2 OUTLIER -64.78 -42.19 95.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.214 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.8 -38.02 89.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.43 -45.25 95.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.063 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.32 -43.11 99.41 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 0.0 109.395 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.84 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.171 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -53.17 -41.15 64.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.44 -42.36 99.4 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.41 -45.93 92.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.53 -41.53 90.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -64.39 -40.8 96.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.605 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.27 62.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.63 -34.7 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.406 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.7 -38.73 82.42 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.79 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.48 137.86 58.26 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.234 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.507 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -72.83 141.81 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 58.4 ttm -93.27 78.94 4.47 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -73.81 -50.02 22.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.845 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 20.5 pt -69.81 -45.8 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 60.36 1.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.89 142.88 42.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.315 0.578 . . . . 0.0 110.811 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -83.38 175.07 10.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.067 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 953' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 40.8 p-10 -63.49 -36.23 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.032 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 954' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 56.5 t0 -71.6 -41.12 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.303 0.573 . . . . 0.0 109.739 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.7 -38.56 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.632 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.66 -43.96 90.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.65 -38.39 87.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.068 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.77 -40.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.644 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.1 t90 -63.25 -43.52 97.77 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.488 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.1 mm-40 -65.15 -34.8 79.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.023 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -64.51 -39.52 93.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.6 tp -68.89 -36.52 74.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 959' ' ' TRP . 78.3 mt -60.13 -43.3 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.02 -42.42 94.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.553 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 82.1 m-20 -64.48 -40.52 95.83 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.054 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.527 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 80.4 m95 -73.92 -0.06 14.94 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.847 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 55.52 14.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.03 152.2 33.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.427 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -76.91 132.93 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 3.5 ptm -137.28 -166.98 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 971' ' ' THR . . . . . . . . . . . . . 81.1 p -116.13 164.86 13.85 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.357 0.598 . . . . 0.0 111.82 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.68 -42.57 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.731 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -49.89 -48.55 51.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.687 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.98 -46.01 85.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.469 . . . . 0.0 109.748 179.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.61 -48.33 79.88 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.113 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.5 -45.45 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.139 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.62 -47.4 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.143 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.633 ' O ' HD13 ' A' ' 983' ' ' LEU . 33.1 pttt -70.53 -39.67 73.91 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.852 0.358 . . . . 0.0 110.148 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.72 -50.25 73.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.99 -43.69 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.29 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.994 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 979' ' ' LYS . 10.3 mp -68.54 -27.08 65.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 38.3 t -77.82 -1.05 29.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.964 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.95 30.05 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.404 -0.426 . . . . 0.0 112.184 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.83 144.88 56.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.203 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -107.65 0.88 22.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.41 151.04 0.78 Allowed Pre-proline 0 C--O 1.226 -0.148 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.67 -41.95 70.32 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 121.522 1.482 . . . . 0.0 111.157 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -67.11 -36.03 81.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.792 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 62.0 m -64.93 -53.12 51.35 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.28 -39.26 92.33 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.198 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.93 -40.21 96.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.86 -45.3 95.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.19 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.56 -41.54 90.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.266 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.553 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 61.5 t90 -54.0 -41.05 67.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.189 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -39.19 89.57 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -62.51 -41.84 99.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.434 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.76 -42.83 97.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.414 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -72.76 -33.42 66.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.469 -0.892 . . . . 0.0 109.782 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.47 92.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 49.3 pttt -78.2 -31.68 49.59 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.23 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -87.47 108.17 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.752 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' 1005 ' ' LEU . 10.6 mp -100.28 137.22 39.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1006 ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' 1005 ' ' LEU . 79.6 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.862 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -171.46 109.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 8.0 tpp -87.74 72.47 9.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.369 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -98.78 -56.54 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.23 156.87 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 110.54 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -57.13 -12.84 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.201 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 951' ' ' LEU . 11.1 mp -79.67 135.89 36.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -74.25 168.72 19.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.04 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 953' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 30.4 p-10 -61.48 -37.21 82.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.181 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 954' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 66.1 t0 -71.23 -39.45 71.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.723 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -66.25 -40.61 90.3 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.976 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -59.58 -42.99 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.19 -36.1 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.793 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.02 -36.17 81.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.373 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.525 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 29.4 t90 -67.93 -47.69 68.0 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 109.863 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.525 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.3 mm-40 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.229 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.266 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -67.07 -38.06 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.0 -43.58 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.87 -42.38 89.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.535 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 43.0 m-20 -62.37 -43.08 99.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.032 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -78.1 -4.83 49.35 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.79 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 51.38 40.22 26.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -152.78 -132.55 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.755 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -152.07 145.35 24.71 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.027 0.441 . . . . 0.0 111.137 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -153.93 -171.24 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.462 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.503 ' O ' ' SD ' ' A' ' 970' ' ' MET . 72.0 p -118.6 161.09 20.63 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.146 0.498 . . . . 0.0 110.809 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 972' ' ' VAL . . . . . 0.414 HG13 HD21 ' A' ' 951' ' ' LEU . 18.0 t -60.34 -43.44 93.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.542 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -54.7 -44.12 73.13 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.17 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.689 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.5 -42.62 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.46 -45.94 90.76 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.59 -39.98 95.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.472 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.16 -37.64 81.23 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.686 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.418 HD21 ' CG ' ' A' ' 994' ' ' TYR . 2.9 tt -64.76 -47.95 76.31 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.954 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -68.18 -40.46 82.26 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -54.53 -49.01 71.26 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.253 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.31 -43.63 90.42 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.391 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.56 76.14 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.023 0.439 . . . . 0.0 111.085 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.18 -22.1 65.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.832 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.5 m -79.51 -3.35 46.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.22 25.01 17.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.79 151.14 46.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.876 0.338 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 91.6 p -109.47 -2.28 17.79 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.788 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -48.72 149.95 2.8 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 17.8 Cg_endo -57.72 -36.9 98.24 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 C-N-CA 121.396 1.398 . . . . 0.0 111.552 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -68.22 -30.98 70.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 71.6 m -68.66 -54.11 18.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.797 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -67.46 -37.59 83.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 993' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 6.7 mmp_? -62.91 -40.49 97.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' TYR . . . . . 0.418 ' CG ' HD21 ' A' ' 978' ' ' LEU . 44.0 t80 -62.34 -46.76 87.23 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -58.75 -41.19 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.0 96.54 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.885 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.535 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 51.1 t90 -55.83 -40.85 73.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.4 -40.43 97.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.08 -45.88 91.43 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.351 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.33 -40.18 96.59 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.33 0.586 . . . . 0.0 109.726 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -61.28 -45.82 92.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.06 71.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.728 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.19 -43.0 88.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.432 ' C ' HD12 ' A' 1005 ' ' LEU . 9.0 ptm180 -90.45 120.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.276 0.56 . . . . 0.0 110.169 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' 1005 ' ' LEU . 10.5 mp -101.1 3.54 41.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.619 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 50.52 45.87 26.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 80.9 mmm -77.4 11.86 1.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.01 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -62.09 -28.86 69.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 33.9 pt -70.39 138.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.579 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -153.62 45.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.814 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.44 149.49 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.248 0.547 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -88.62 174.82 7.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.645 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 953' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 41.1 p-10 -62.29 -38.37 89.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.513 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 954' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 8.9 p-10 -72.5 -37.94 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.879 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -69.46 -40.86 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -61.95 -43.65 98.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.25 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -66.18 -39.81 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.216 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.625 ' CE2' HD11 ' A' ' 963' ' ' ILE . 26.7 t90 -65.58 -46.33 79.8 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.149 0.499 . . . . 0.0 110.121 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.483 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.4 mm-40 -63.97 -38.98 93.05 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.189 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -65.32 -36.71 84.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.188 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.4 tt -68.98 -38.73 78.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.625 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -61.02 -43.8 96.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.858 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -63.07 -38.72 92.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.525 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -58.45 -44.92 89.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.865 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.517 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 43.7 m95 -76.8 -3.25 37.39 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.86 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.36 17.25 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.125 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -132.44 -141.9 0.21 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 969' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 969' ' ' GLU . 1.9 pm0 -144.15 130.71 20.02 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.713 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.517 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 5.8 ptm -140.66 147.37 39.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.069 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.5 p -79.55 168.64 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.28 0.562 . . . . 0.0 111.92 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.5 -44.26 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.074 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -54.31 -40.52 68.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -61.6 -45.03 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.576 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 979' ' ' LYS . 91.3 mt -62.59 -35.47 79.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -67.61 -35.84 79.71 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.13 -45.36 77.36 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.038 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 43.8 pttt -66.81 -44.34 81.44 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 85.3 tt0 -56.14 -50.78 70.17 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.313 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.85 -47.1 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.848 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.66 -49.25 73.96 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.795 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.43 -26.35 68.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.323 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 90.1 p -78.37 -0.84 30.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 92.07 27.42 16.19 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.129 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.2 142.05 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 45.0 m -97.26 -4.74 38.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -43.18 150.04 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.07 -32.69 91.98 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.577 1.518 . . . . 0.0 110.749 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -65.46 -42.07 92.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.929 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.3 t -63.4 -51.09 67.27 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.93 -37.41 81.61 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.11 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.35 -39.44 94.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 994' ' ' TYR . . . . . 0.489 ' CE2' HD11 ' A' ' 998' ' ' LEU . 50.8 t80 -61.61 -44.34 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.712 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -61.12 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.82 86.33 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.525 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 53.9 t90 -55.36 -41.3 72.36 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 998' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 994' ' ' TYR . 77.5 mt -63.51 -38.89 92.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.09 99.68 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.955 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.29 -43.94 95.83 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1004 ' ' ARG . 53.2 ttt85 -62.45 -43.16 99.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.833 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.02 66.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -73.09 -43.29 62.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.778 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.587 ' C ' HD12 ' A' 1005 ' ' LEU . 53.5 ptt85 -106.43 122.15 45.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.382 0.61 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' 1004 ' ' ARG . 10.1 mp -110.69 139.07 46.3 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.177 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -170.23 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 63.7 mtt 45.59 42.51 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.986 0.422 . . . . 0.0 110.416 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -159.34 -90.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.357 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 951' ' ' LEU . 26.0 mm -99.17 128.9 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -87.1 25.99 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.81 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.49 ' H ' HG22 ' A' ' 949' ' ' ILE . 6.7 mp 52.63 171.5 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 110.275 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -91.71 167.43 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.07 -40.16 92.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 954' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 18.1 p-10 -72.73 -43.56 62.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.462 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.6 -40.96 98.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.037 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -60.23 -44.2 95.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.56 -41.56 98.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.206 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 958' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 958' ' ' GLU . 0.2 OUTLIER -63.76 -37.67 88.23 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.47 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.4 t90 -63.73 -48.4 77.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.166 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.47 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 87.6 mm-40 -65.41 -38.38 89.76 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.651 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -66.2 -36.03 81.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -68.85 -38.99 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.0 mt -61.27 -42.6 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.393 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.38 -41.58 85.13 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.466 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 40.8 t0 -64.34 -44.34 91.76 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.634 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -75.33 -2.18 27.14 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 52.76 14.92 0.47 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -137.15 140.31 41.75 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.25 137.05 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 111.984 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 11.6 mtm -134.92 -177.14 4.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.996 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.458 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 43.2 p -118.76 160.51 21.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.423 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.417 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -52.98 -40.56 63.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.907 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -62.59 -43.34 99.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.08 -45.63 92.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.817 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.0 -39.03 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.296 0.569 . . . . 0.0 109.801 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.73 -39.27 84.27 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.841 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.82 -45.8 77.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.117 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 50.6 pttt -66.69 -43.32 84.73 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 50.3 tp10 -53.24 -50.67 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.596 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.14 -50.33 70.86 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.684 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.54 73.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.539 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.84 -23.38 66.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 16.9 t -78.69 3.01 17.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.315 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.14 25.41 24.34 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.92 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.39 145.67 50.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.274 0.537 . . . . 0.0 109.989 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 83.6 p -106.1 -3.46 21.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.372 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.17 150.22 0.4 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.908 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.3 Cg_endo -57.31 -30.83 89.08 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.767 1.645 . . . . 0.0 110.912 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.95 -26.41 61.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.048 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 991' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 20.7 p -73.77 -53.62 9.88 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.637 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 992' ' ' GLN . . . . . 0.428 ' N ' ' OG ' ' A' ' 991' ' ' SER . 1.4 pt20 -64.97 -39.98 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 993' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 28.2 mmt180 -64.26 -41.48 96.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.922 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.34 -44.27 95.36 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -60.25 -41.32 92.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.67 95.84 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.506 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.466 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 55.8 t90 -53.88 -41.28 67.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.247 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.5 -40.16 96.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.34 -48.94 77.61 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.24 -41.2 96.48 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -60.18 -43.02 96.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.332 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' 1005 ' ' LEU . . . -58.9 -35.57 73.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.22 -37.15 63.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.076 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' 1005 ' ' LEU . 32.1 mmt180 -61.79 -35.43 78.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.938 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' 1002 ' ' ALA . 7.4 mp 61.09 146.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.92 -179.606 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -79.55 -160.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.44 -40.88 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.19 0.519 . . . . 0.0 109.867 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . 50.53 -165.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 950' ' ' ALA . 34.7 pt -66.97 -26.34 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 949' ' ' ILE . . . 74.15 -24.06 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 949' ' ' ILE . 10.9 mp -78.96 146.72 33.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.125 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -72.36 171.56 11.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.61 -43.53 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.2 -42.07 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.67 -36.3 83.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.87 -45.74 89.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.13 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.2 -37.21 86.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.45 -45.56 92.53 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.473 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.7 t90 -66.13 -47.33 74.43 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.44 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.473 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.8 mm-40 -62.71 -40.26 96.59 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.341 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.31 -36.03 82.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.767 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.0 -36.9 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 959' ' ' TRP . 74.8 mt -61.99 -43.57 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -61.08 -41.21 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.663 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.03 -45.56 92.4 Favored 'General case' 0 CA--C 1.533 0.288 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.134 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 40.6 m95 -77.39 -3.41 40.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.328 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 54.32 19.48 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -145.97 146.31 30.97 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.847 0.356 . . . . 0.0 110.15 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -74.26 137.36 42.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.909 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.8 ptm -150.41 153.69 36.42 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.182 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 971' ' ' THR . . . . . . . . . . . . . 63.6 p -79.84 166.63 21.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 0.0 112.129 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -62.71 -43.72 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.379 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.93 -46.91 64.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.712 HE21 ' CA ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -55.05 -45.17 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.35 -44.75 96.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 109.88 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.675 ' O ' HD23 ' A' ' 976' ' ' LEU . 4.9 tt -60.83 -42.46 97.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.277 0.561 . . . . 0.0 110.054 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.78 -35.98 81.62 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.863 -0.735 . . . . 0.0 109.256 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.96 -45.52 77.48 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -67.01 -42.58 84.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.51 -51.17 69.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.043 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.43 -47.84 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.632 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.82 76.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.947 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.11 -22.53 66.4 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.346 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.7 t -78.83 -2.2 38.55 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.35 27.81 12.66 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.508 -0.377 . . . . 0.0 112.406 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.84 48.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.28 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 32.2 t -99.58 -2.37 35.85 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.45 148.97 0.4 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.927 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.44 ' C ' ' HE ' ' A' ' 993' ' ' ARG . 22.8 Cg_endo -60.23 -30.13 90.53 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.007 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 990' ' ' ASP . . . . . 0.456 ' OD1' ' NH2' ' A' ' 993' ' ' ARG . 74.2 m-20 -71.68 -33.15 68.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -50.61 39.62 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.206 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.06 96.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.63 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 993' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 990' ' ' ASP . 82.6 mtm180 -63.84 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -61.99 -45.58 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.274 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -61.94 -41.52 98.05 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.02 93.46 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -53.74 -41.23 66.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.49 -46.7 84.94 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.733 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.45 -40.73 92.2 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -59.03 -43.95 91.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.326 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.55 74.24 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.04 -43.17 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' 1005 ' ' LEU . 8.1 ptm180 -88.71 124.61 34.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' 1004 ' ' ARG . 11.0 mp -109.22 128.66 55.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.99 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1006 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1005 ' ' LEU . 22.8 m . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.604 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 945' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 946' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 945' ' ' GLY . . . 44.31 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 87.4 mtp -77.2 14.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -43.74 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 39.5 pt -132.96 154.2 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -163.98 28.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.375 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 951' ' ' LEU . 10.5 mp -81.13 131.87 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.189 0.519 . . . . 0.0 110.703 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.05 173.1 6.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.364 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -58.66 -39.62 81.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.039 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -69.31 -39.87 78.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.2 -37.92 81.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.182 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.86 -43.76 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.063 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.28 -38.34 90.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.391 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.46 -44.15 91.97 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.455 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 24.7 t90 -62.76 -47.7 82.39 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.043 0.449 . . . . 0.0 110.201 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.455 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 92.7 mm-40 -64.55 -38.5 91.24 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.515 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.34 -38.73 91.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.52 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 959' ' ' TRP . 5.4 tt -68.47 -37.46 77.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.419 HD11 ' CE2' ' A' ' 959' ' ' TRP . 85.8 mt -61.44 -43.46 96.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -58.44 -42.09 86.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.11 -40.66 98.27 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -74.52 -3.16 29.17 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 53.62 34.74 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.746 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 968' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 969' ' ' GLU . 10.7 ptmm? -153.39 -146.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 969' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' A' ' 968' ' ' LYS . 16.2 tm-20 -141.39 137.32 32.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -145.71 -171.93 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.732 179.049 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.516 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 73.0 p -117.96 163.46 16.54 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.03 0.443 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.8 t -59.7 -43.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.617 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -53.6 -44.01 69.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -60.02 -47.9 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.33 -44.16 95.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -40.34 92.76 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.649 0.738 . . . . 0.0 109.932 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.33 -43.41 81.63 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.404 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.47 -48.22 78.6 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.771 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -65.89 -35.54 80.91 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.1 -54.66 40.29 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.161 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -65.23 -43.68 90.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.516 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.15 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.488 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.97 -22.41 65.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.4 p -78.23 -3.73 44.18 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.6 28.32 10.5 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.43 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.438 ' HB1' ' OD2' ' A' ' 988' ' ' ASP . . . -69.83 153.46 43.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.04 0.42 . . . . 0.0 110.056 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 86.6 p -107.23 0.95 23.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.422 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 988' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 991' ' ' SER . 2.2 p30 -50.02 148.8 5.48 Favored Pre-proline 0 C--N 1.332 -0.168 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -57.85 -33.24 96.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.66 1.573 . . . . 0.0 111.846 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.02 -35.83 80.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 991' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 5.4 t -68.1 -52.54 33.86 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.799 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.68 -41.03 92.91 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.189 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.37 -40.12 95.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 109.945 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.19 -44.78 96.75 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -61.46 -41.91 97.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.32 96.01 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.619 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -53.79 -42.17 68.06 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.94 -39.99 96.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.034 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.63 -45.45 92.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -73.37 -31.87 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.398 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.18 98.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.747 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' 1005 ' ' LEU . 59.7 pttt -80.23 -24.45 40.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.068 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.416 ' C ' HD12 ' A' 1005 ' ' LEU . 69.4 ttt180 -57.43 70.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.33 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1003 ' ' LYS . 10.5 mp -112.81 141.19 46.9 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.706 -179.747 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -71.26 109.6 5.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 947' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 949' ' ' ILE . 98.9 mtp -77.69 -6.34 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.822 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -72.99 32.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.469 ' H ' ' C ' ' A' ' 947' ' ' MET . 31.2 pt -63.27 -41.78 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 949' ' ' ILE . . . 38.63 36.61 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.226 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 5.2 mp 54.72 170.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.088 0.47 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -70.9 165.35 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.89 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.46 -42.94 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.87 -43.95 86.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.203 0.525 . . . . 0.0 110.012 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.37 -37.66 80.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.83 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.05 -44.95 94.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.353 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 957' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 957' ' ' ASP . 67.4 t0 -63.69 -38.17 90.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -66.26 -42.88 87.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.429 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -63.85 -47.95 78.7 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.843 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.429 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.7 mm-40 -57.24 -39.56 75.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.433 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.85 -35.86 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.275 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.59 -37.64 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.41 -45.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.97 -39.59 90.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.317 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 57.9 t0 -61.76 -46.71 88.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.275 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 29.3 m95 -76.32 -4.53 42.6 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.864 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 54.34 15.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.99 152.6 39.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.13 138.31 47.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.142 0.496 . . . . 0.0 111.733 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.9 OUTLIER -137.87 -166.31 1.94 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.442 ' O ' ' SD ' ' A' ' 970' ' ' MET . 82.1 p -119.88 156.85 29.93 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.189 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.3 t -62.11 -42.62 95.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -48.63 -48.48 39.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.965 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.711 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -62.6 -47.8 82.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.081 0.467 . . . . 0.0 110.675 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.3 -40.67 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -68.63 -38.69 80.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.495 0.664 . . . . 0.0 109.517 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.51 -48.59 76.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.633 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -44.82 69.59 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.202 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -53.22 -52.7 58.06 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.92 -47.61 84.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.03 75.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.429 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.05 -24.77 67.83 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.233 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.96 -2.33 39.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.826 0.346 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.81 24.05 16.49 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.324 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.47 146.64 53.78 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.909 0.355 . . . . 0.0 110.282 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 88.4 p -104.31 -3.06 24.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.6 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -43.1 149.99 0.49 Allowed Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.49 -33.3 97.89 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.51 1.474 . . . . 0.0 110.805 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.81 -38.85 90.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.471 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.8 t -66.18 -51.31 59.0 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.36 -38.65 91.78 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.414 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -39.88 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.44 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -61.22 -41.02 96.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.367 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.74 89.4 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 61.0 t90 -53.79 -41.77 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -39.29 93.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.89 -49.79 76.45 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.47 -42.74 99.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -60.6 -44.89 95.76 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.256 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.86 65.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.074 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' 1004 ' ' ARG . 0.0 OUTLIER -75.01 -38.77 61.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.622 -179.03 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' 1003 ' ' LYS . 36.4 ptt180 -82.54 41.65 0.72 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.23 -41.26 96.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.271 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.708 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -150.19 153.8 36.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 37.5 ttm -68.57 -9.49 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 949' ' ' ILE . . . -60.24 -33.27 72.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.396 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 948' ' ' ALA . 38.3 pt -44.91 171.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.775 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -142.83 -2.72 1.03 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.4 mp -78.15 147.69 34.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.93 170.64 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.307 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.16 -41.6 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.13 -41.22 97.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.35 0.595 . . . . 0.0 109.429 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -68.79 -41.3 78.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.644 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.1 -45.19 95.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.902 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -64.37 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.832 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.25 -41.22 97.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.908 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' A' ' 963' ' ' ILE . 18.6 t90 -64.92 -49.51 70.14 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.451 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 95.0 mm-40 -62.94 -39.73 95.5 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.352 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.32 -37.93 89.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.312 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.6 tt -68.84 -38.08 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 959' ' ' TRP . 68.8 mt -60.97 -43.63 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.409 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -60.88 -39.67 90.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.24 -43.74 95.84 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.309 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -75.77 -2.54 30.3 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.946 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 58.76 15.59 3.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.237 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.99 143.87 29.75 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.08 136.74 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.294 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.9 mtm -138.8 -179.75 6.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.813 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 971' ' ' THR . . . . . . . . . . . . . 31.9 p -118.85 164.52 15.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.02 -42.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.282 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -54.58 -48.53 72.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.612 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.35 -41.24 93.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.077 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -41.8 89.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.743 0.783 . . . . 0.0 109.124 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.82 -42.17 95.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.25 -48.75 76.89 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.073 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 983' ' ' LEU . 0.3 OUTLIER -66.08 -35.67 81.15 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.483 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -63.04 -53.94 45.88 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -60.92 -46.15 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.42 85.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 111.173 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 979' ' ' LYS . 1.7 mp -62.61 -26.6 68.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 14.5 m -78.02 -3.14 40.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.618 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 88.92 27.24 24.4 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.341 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.87 144.26 56.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.308 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.1 m -90.97 -8.85 48.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -40.66 148.94 0.34 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.4 -30.99 92.09 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.065 1.843 . . . . 0.0 111.327 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -70.16 -31.51 69.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.7 t -71.17 -51.77 22.96 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.265 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.822 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.92 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.84 -45.02 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.061 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -60.83 -41.83 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.62 94.02 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.466 -0.493 . . . . 0.0 109.903 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -53.63 -41.85 67.16 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.82 -37.79 88.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.77 -40.65 97.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' 1003 ' ' LYS . 81.2 mt -61.08 -42.22 98.09 Favored 'General case' 0 N--CA 1.458 -0.057 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -65.22 -44.28 88.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.844 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -54.96 -35.13 63.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.687 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' 1000 ' ' LEU . 54.7 pttt -79.2 -33.86 43.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.264 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -60.25 -39.45 86.79 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.87 -42.03 99.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.223 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.17 179.625 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.473 ' C ' ' N ' ' A' ' 948' ' ' ALA . . . -164.79 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 43.4 ttm 47.24 17.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.536 0.684 . . . . 0.0 109.719 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.473 ' N ' ' C ' ' A' ' 946' ' ' ALA . . . -65.15 -34.93 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.526 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 43.5 pt -79.81 141.46 15.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -84.7 -2.32 57.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.48 149.05 40.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.491 0.662 . . . . 0.0 110.948 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -83.13 171.06 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.253 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.82 -46.42 84.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -64.12 -42.29 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.85 -37.45 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.145 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.53 -44.58 89.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.118 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.91 -38.24 90.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.176 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.76 -41.69 95.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.536 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.5 t90 -65.48 -46.92 77.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.074 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.536 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 61.1 mm-40 -64.57 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.157 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.16 -38.08 89.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.07 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -67.91 -37.78 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -59.9 -43.94 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -60.59 -41.25 94.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -61.6 -43.64 98.49 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.612 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.0 m95 -78.18 -3.55 43.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.432 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 53.52 14.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -139.1 147.14 41.57 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -76.59 137.74 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 112.03 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.1 ptm -145.91 170.18 17.1 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.411 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.404 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 80.8 p -92.42 163.72 13.75 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 111.824 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.79 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.623 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.34 -44.25 68.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.65 ' HA ' HE21 ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.02 -39.11 84.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -62.14 -44.43 96.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.153 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -66.79 -36.5 82.54 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.791 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.44 -46.98 80.83 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 46.2 pttt -69.9 -45.77 66.87 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.514 -0.475 . . . . 0.0 109.867 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 80.4 tt0 -51.02 -51.67 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.29 -47.27 85.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.582 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.62 77.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.124 0.488 . . . . 0.0 111.591 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.79 -26.07 68.47 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.918 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.2 p -79.24 -1.23 35.52 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.335 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.5 26.1 16.5 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.294 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.5 141.99 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.419 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 67.9 m -98.98 -6.95 27.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.19 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.32 149.47 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -58.95 -31.31 95.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.751 1.634 . . . . 0.0 111.014 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -66.9 -38.4 86.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 4.9 t -69.28 -52.12 30.58 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.13 -38.69 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.344 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -64.22 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.42 -45.52 93.98 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.85 -40.79 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.77 97.18 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 62.0 t90 -54.6 -41.44 69.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.33 -38.91 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.4 -43.89 96.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.437 ' HB3' HH12 ' A' 1004 ' ' ARG . 86.1 mt -61.21 -42.41 98.55 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1001 ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' 1004 ' ' ARG . 61.8 ttt180 -60.85 -42.51 97.95 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.592 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.25 64.54 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.965 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 65.6 mttm -67.48 -42.34 83.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.853 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' 1001 ' ' ARG . 10.8 ptp85 -104.54 118.84 37.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.628 0.728 . . . . 0.0 111.804 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' 1005 ' ' LEU . 10.5 mp -94.33 133.99 37.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.464 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.766 179.743 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.07 138.66 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 97.7 mmm -64.74 -39.98 94.54 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.433 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -146.19 141.85 27.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.281 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 950' ' ' ALA . 22.3 pt -118.3 -34.57 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 949' ' ' ILE . . . 70.69 -46.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.184 0.516 . . . . 0.0 111.211 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.55 152.06 37.82 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.707 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.91 170.39 8.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -44.25 95.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -65.91 -41.83 90.95 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.47 -40.56 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.64 -42.84 97.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.294 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.37 -39.49 94.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.79 -40.1 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 963' ' ' ILE . 28.4 t90 -65.97 -45.55 81.32 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.481 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 69.4 mm-40 -63.07 -40.01 96.42 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.68 -37.49 87.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.348 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.3 tt -68.32 -37.53 78.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.634 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.0 mt -59.47 -43.95 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.226 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -62.29 -38.46 89.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.69 -42.8 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.588 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 60.0 m95 -80.28 -1.06 39.21 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.348 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 56.6 14.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.549 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -147.95 156.21 42.41 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.23 148.16 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.257 0.551 . . . . 0.0 112.224 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.588 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 4.8 ptm -153.77 156.76 38.34 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.602 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.8 p -81.72 163.54 22.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.246 0.546 . . . . 0.0 111.665 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.8 t -65.99 -43.32 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.934 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.51 -40.03 65.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.027 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.65 -41.17 89.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -60.62 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.039 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.13 -41.39 98.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.204 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -66.62 -40.57 88.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.95 -45.96 83.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.078 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 7.8 pttp -69.96 -41.6 74.29 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 78.5 tt0 -54.8 -50.05 69.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.11 -44.17 93.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.45 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.85 91.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.77 -24.53 63.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 33.1 t -78.79 -4.35 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.93 28.02 14.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.5 151.43 47.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 0.38 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.95 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.66 148.89 4.76 Favored Pre-proline 0 C--N 1.331 -0.217 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.08 -34.82 98.92 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.622 1.548 . . . . 0.0 111.394 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.7 -28.01 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 3.3 t -71.02 -52.86 17.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.419 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.34 -39.59 89.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.642 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -64.83 -39.86 94.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.887 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -62.28 -50.72 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.49 -40.67 79.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.02 75.66 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -56.82 -40.85 76.75 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.83 -40.11 95.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.52 -42.42 99.51 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.786 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.21 -42.08 94.37 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -60.11 -43.14 95.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.464 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -57.64 -34.28 69.16 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1003 ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' 1004 ' ' ARG . 99.7 mttt -70.23 -39.77 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1004 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1003 ' ' LYS . 98.4 mtt180 -49.83 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' 1004 ' ' ARG . 64.6 mt 35.27 33.08 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1006 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1004 ' ' ARG . 14.3 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.684 -1.15 . . . . 0.0 110.564 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 945' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 948' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.444 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 4.1 ptp -81.07 15.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.985 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 945' ' ' GLY . . . -46.18 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.159 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 18.1 pt -128.27 142.44 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.172 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -94.05 -1.73 53.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.717 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 951' ' ' LEU . 11.2 mp -82.65 130.15 35.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -78.51 175.12 10.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.541 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -55.65 -42.35 74.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 954' ' ' ASP . . . . . 0.434 ' O ' ' OE2' ' A' ' 958' ' ' GLU . 47.1 t0 -64.19 -45.79 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.9 -38.69 91.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 110.749 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.179 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.84 -40.3 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.745 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 958' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 954' ' ' ASP . 0.7 OUTLIER -66.02 -42.35 89.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.711 -179.499 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.423 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 19.4 t90 -63.73 -51.22 65.94 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.423 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -56.15 -40.05 73.23 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.094 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -64.32 -34.96 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -65.11 -40.52 89.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.27 -43.83 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.0 -40.93 81.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.615 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -63.43 -45.74 89.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.114 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.401 ' NE1' HG12 ' A' ' 962' ' ' ILE . 23.5 m95 -81.15 -5.13 57.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.94 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 50.96 21.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -141.33 149.13 40.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.78 0.324 . . . . 0.0 110.241 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.72 140.34 51.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.726 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 971' ' ' THR . 1.3 ppp? -147.1 -170.88 3.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.329 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 23.4 p -119.97 157.9 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 0.0 111.079 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.17 -42.59 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.437 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -50.46 -49.6 54.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.177 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.81 -41.65 82.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.445 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.486 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.473 HD13 ' HD3' ' A' ' 979' ' ' LYS . 2.4 mm? -62.01 -39.41 92.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.68 -42.06 91.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.09 -48.59 75.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.148 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.473 ' HD3' HD13 ' A' ' 976' ' ' LEU . 17.9 ptmt -69.41 -40.79 77.09 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.15 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.55 -51.59 66.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.221 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.75 -47.74 79.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.753 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.71 66.54 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.408 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.78 -24.61 67.83 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.148 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.74 -3.74 45.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.705 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 97.94 27.29 9.0 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.27 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.77 153.58 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.104 0.452 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 19.2 m -111.7 -5.0 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.088 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -44.67 150.1 0.72 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.878 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -33.14 96.69 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.86 1.707 . . . . 0.0 111.525 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.17 -34.36 77.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.643 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.4 t -70.89 -51.91 23.35 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.838 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.52 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.458 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.08 -38.11 89.69 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.3 -44.68 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.578 . . . . 0.0 109.93 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -60.24 -41.31 92.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.06 95.73 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.597 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -53.21 -41.37 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.98 -40.41 97.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.48 -42.71 99.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.834 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.89 -41.86 98.39 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -61.05 -45.27 95.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.648 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.71 70.76 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -73.09 -32.73 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -58.62 -30.07 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.45 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.57 -42.8 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.194 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.442 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -143.16 91.19 2.25 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 93.9 mmm -63.38 -40.69 97.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . 51.26 96.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.535 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.846 ' N ' HD12 ' A' ' 949' ' ' ILE . 1.5 mp -112.56 131.05 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.181 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -46.33 -16.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.439 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 949' ' ' ILE . 11.2 mp -91.13 135.34 33.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.546 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -66.16 172.74 3.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.835 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -60.16 -44.5 94.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.82 -40.44 88.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 0.0 110.377 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.91 -40.35 94.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.072 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -60.01 -43.89 94.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.36 -39.74 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.105 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -65.61 -39.28 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.949 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.568 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 30.1 t90 -62.09 -47.99 82.19 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.568 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 60.8 mm-40 -58.38 -38.91 78.26 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.852 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.9 -35.73 81.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.18 -40.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.51 HD11 ' CZ2' ' A' ' 959' ' ' TRP . 44.2 mt -60.82 -43.48 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -57.2 -42.78 81.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 965' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 997' ' ' TRP . 17.7 t70 -61.8 -43.78 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.029 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 45.0 m95 -77.81 -3.06 39.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.067 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 49.92 20.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.536 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.01 153.36 41.4 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -76.1 130.55 38.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.578 . . . . 0.0 111.749 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.418 ' C ' ' SD ' ' A' ' 970' ' ' MET . 3.5 ppp? -145.82 154.85 42.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.944 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.479 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 65.6 p -83.13 167.31 17.91 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -177.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.5 -43.35 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.876 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.31 -46.33 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.56 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -52.74 -44.89 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -61.32 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.82 -37.9 86.14 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.309 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.4 tp -62.57 -49.08 76.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.462 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 10.2 ptmm? -68.13 -43.99 77.09 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.02 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 81.2 tt0 -53.15 -49.62 66.23 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.302 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.01 -48.69 75.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.59 -50.55 72.16 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.587 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.03 -25.91 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.507 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 11.9 t -78.05 0.22 25.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.853 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.9 29.09 21.7 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.889 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.85 145.73 53.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.117 0.484 . . . . 0.0 110.999 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 -4.04 35.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.2 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.48 150.85 0.49 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.29 -29.99 87.14 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.925 1.75 . . . . 0.0 111.436 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.45 -28.71 61.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.498 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.0 t -70.8 -49.7 43.61 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.0 94.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.34 -37.07 85.85 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -59.88 -43.09 94.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.14 93.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.554 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.405 ' CD1' ' OD1' ' A' ' 965' ' ' ASP . 71.3 t90 -55.61 -41.53 73.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.57 -40.74 97.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.33 -43.43 96.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.56 -43.41 97.29 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.54 -42.9 88.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.31 68.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.31 -37.72 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.247 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -81.63 77.38 8.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1005 ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' 1005 ' ' LEU . 10.2 mp -63.73 -41.28 98.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.019 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.453 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.91 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.281 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 16.2 ptm -62.01 -39.27 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.305 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -50.66 -62.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.345 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 45.6 pt -143.27 153.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.834 0.349 . . . . 0.0 111.457 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -123.25 -2.37 8.57 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.58 152.44 35.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.252 0.549 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.57 175.02 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.993 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -56.46 -45.05 81.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.103 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.29 -45.53 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 111.011 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -65.59 -38.46 89.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.256 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.94 -42.03 97.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -63.97 -34.93 79.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.235 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 958' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' A' ' 962' ' ' ILE . 12.8 tm-20 -66.2 -42.46 88.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.454 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.621 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.7 t90 -64.28 -48.31 76.17 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.419 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 93.5 mm-40 -63.66 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.586 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.04 -39.74 95.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.497 ' CD1' ' CE3' ' A' ' 997' ' ' TRP . 1.0 OUTLIER -68.09 -38.08 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.559 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 959' ' ' TRP . 84.5 mt -59.5 -44.19 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.553 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.02 -42.07 93.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.15 -46.52 90.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.522 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.6 m95 -76.71 -3.24 37.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.398 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 53.49 17.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.355 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -141.1 151.05 43.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.12 132.23 35.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.264 0.554 . . . . 0.0 112.394 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.9 ptm -138.03 144.95 41.27 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.552 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.7 p -77.6 166.5 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.706 0.765 . . . . 0.0 112.102 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.97 -42.45 96.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.747 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.25 -41.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.974 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.39 -37.73 84.46 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.26 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 976' ' ' LEU . 4.1 mm? -62.27 -42.56 99.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.025 0.44 . . . . 0.0 109.84 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 977' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 977' ' ' ASP . 67.0 t0 -67.85 -39.43 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.279 0.562 . . . . 0.0 110.449 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.07 -44.78 87.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.893 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 8.0 pttp -69.23 -44.79 71.31 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 84.8 tt0 -51.0 -51.48 52.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.753 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.24 -45.56 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.519 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.31 -51.95 65.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.59 -23.83 67.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.024 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 2.4 t -79.03 -1.62 36.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.19 25.43 19.32 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.936 -0.465 . . . . 0.0 111.936 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.14 146.51 54.56 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.299 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 100.0 p -109.19 2.07 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.157 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.71 150.51 2.5 Favored Pre-proline 0 C--N 1.333 -0.128 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.39 -41.07 80.1 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 121.187 1.258 . . . . 0.0 111.327 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.271 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 50.6 m -65.4 -50.67 64.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.97 -35.87 81.75 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.982 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.43 -39.55 94.04 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.71 -46.89 87.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.123 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.55 -42.18 91.78 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.4 96.51 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.392 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.497 ' CE3' ' CD1' ' A' ' 962' ' ' ILE . 73.4 t90 -53.09 -40.71 64.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.85 -40.68 98.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.07 -46.18 82.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.716 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.12 -42.5 94.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -60.02 -43.17 95.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.764 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.41 72.57 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.183 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -74.14 -35.43 64.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.294 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.9 mmt-85 -60.4 -34.98 74.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.443 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.12 -42.15 98.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.597 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -165.7 171.33 13.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 111.323 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 8.0 ttt -62.67 -37.41 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -52.81 145.82 11.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.467 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.64 ' H ' HD13 ' A' ' 949' ' ' ILE . 0.0 OUTLIER -91.12 16.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 -179.453 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 949' ' ' ILE . . . 69.15 -45.03 0.55 Allowed 'General case' 0 CA--C 1.518 -0.252 0 O-C-N 123.516 0.51 . . . . 0.0 111.702 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.542 HD11 HD23 ' A' ' 976' ' ' LEU . 11.2 mp -86.09 133.87 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.121 0.486 . . . . 0.0 110.572 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.84 175.81 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.711 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.59 -44.14 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.155 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -43.15 95.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.07 -41.52 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -63.24 -40.7 98.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.311 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.33 -35.91 81.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.547 ' CE2' HD11 ' A' ' 963' ' ' ILE . 32.7 t90 -65.83 -44.1 86.59 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.526 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.3 mm-40 -65.6 -38.03 88.3 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.823 178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -66.22 -37.16 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.49 -37.18 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.3 mt -59.44 -44.95 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -60.84 -40.45 92.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.1 -46.64 82.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.384 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 966' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 21.0 m95 -82.46 -4.49 57.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 49.88 20.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -137.7 151.79 48.6 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -77.42 144.0 38.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 111.209 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 970' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.7 OUTLIER -152.03 162.48 41.03 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 179.202 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.484 ' O ' ' SD ' ' A' ' 970' ' ' MET . 80.4 p -86.85 161.47 18.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.138 0.494 . . . . 0.0 111.658 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.67 -42.9 93.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.644 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -56.07 -44.59 79.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.186 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.69 HE21 ' HA ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -58.87 -42.41 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.5 -44.46 96.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.161 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.542 HD23 HD11 ' A' ' 951' ' ' LEU . 0.1 OUTLIER -60.86 -38.98 87.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.69 0.757 . . . . 0.0 109.062 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.126 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.42 -47.21 82.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.097 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -69.41 -41.67 76.07 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.956 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.33 -46.89 73.0 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.141 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 981' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 986' ' ' ALA . 81.5 mtp180 -64.32 -47.48 79.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.81 -48.4 76.98 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 111.68 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -25.93 67.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 23.0 t -79.0 -1.1 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.13 29.02 18.81 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 981' ' ' ARG . . . -64.17 151.33 43.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 9.8 t -109.31 -9.85 14.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.804 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 988' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 991' ' ' SER . 1.5 p30 -50.13 148.87 5.6 Favored Pre-proline 0 N--CA 1.463 0.184 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.432 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.17 -33.03 95.14 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.865 1.71 . . . . 0.0 112.152 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.5 -35.84 82.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 991' ' ' SER . . . . . 0.52 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 20.7 m -70.98 -53.34 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.235 -178.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.25 -38.47 91.29 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.427 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 993' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 22.0 mmt85 -62.56 -41.5 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.86 -47.06 88.12 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.53 -40.73 79.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.19 94.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.911 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 53.8 t90 -54.33 -41.83 69.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.41 -40.89 98.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.77 -44.9 95.97 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.331 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.76 -42.26 98.75 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -59.55 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.19 -30.77 69.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.928 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -68.69 -39.55 80.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.045 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -51.51 -11.74 0.14 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.34 -42.89 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.295 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.496 179.393 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 945' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 946' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 46.0 -174.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 0.0 110.6 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 21.5 ttt 66.79 -34.11 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.539 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -96.16 91.58 5.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 949' ' ' ILE . 0.0 OUTLIER -71.31 -31.76 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.295 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 950' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . 46.23 19.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.543 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 950' ' ' ALA . 10.3 mp 56.24 152.29 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 110.867 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 952' ' ' ARG . . . . . 0.402 ' H ' ' HB2' ' A' ' 955' ' ' GLU . 80.4 mtp85 -96.66 174.42 6.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.562 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.63 -46.12 87.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.548 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.89 -42.71 97.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.443 . . . . 0.0 110.177 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' A' ' 952' ' ' ARG . 13.0 mm-40 -68.05 -37.05 80.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.2 -42.89 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.549 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.24 -36.98 85.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.894 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.1 -41.16 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.361 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.612 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.5 t90 -65.21 -46.45 80.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.504 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.0 mm-40 -64.2 -36.26 83.48 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.882 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.01 -38.37 90.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 962' ' ' ILE . 2.9 tt -68.86 -38.16 78.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 959' ' ' TRP . 89.1 mt -61.33 -43.36 96.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -60.69 -40.64 92.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.287 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.09 -46.04 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -78.25 -3.49 43.08 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 50.84 24.21 1.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.15 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.86 -137.32 0.16 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -145.09 143.72 30.56 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.411 0.624 . . . . 0.0 111.588 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.08 158.37 30.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.739 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 76.4 p -86.02 165.9 16.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.482 0.658 . . . . 0.0 112.535 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.68 -43.32 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.859 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.25 -40.49 64.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.247 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.1 OUTLIER -60.35 -41.66 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.78 -44.29 97.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.336 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -60.39 -40.95 92.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.34 -42.48 92.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.973 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.28 -46.69 82.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.356 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 979' ' ' LYS . . . . . 0.423 ' HD3' HD22 ' A' ' 976' ' ' LEU . 17.3 ptmt -69.67 -42.14 74.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.025 0.44 . . . . 0.0 110.158 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 980' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 44.5 tt0 -57.05 -50.99 71.06 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.339 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -63.65 -47.78 79.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.297 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.85 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.621 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.9 -21.41 66.0 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 28.0 t -79.1 -2.3 39.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.428 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.21 25.84 15.59 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.72 147.11 52.3 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.0 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.4 p -102.94 -1.37 29.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.039 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -46.89 150.32 1.34 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.804 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.36 -29.75 89.5 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 121.909 1.74 . . . . 0.0 111.223 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -71.21 -32.07 68.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.6 t -69.84 -51.1 36.37 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.274 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.29 -38.29 90.56 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -60.73 -43.54 97.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -60.37 -41.15 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.27 96.51 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.799 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -54.25 -42.17 69.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.07 -39.5 94.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.96 -42.43 97.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.39 -42.13 95.27 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -61.85 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.633 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -57.34 -34.0 68.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 65.6 mttm -72.12 -40.71 67.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -62.69 -40.93 98.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.13 -42.09 99.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.46 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.508 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -87.25 -2.31 58.53 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 120.946 0.403 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 52.6 mmm -61.24 -32.01 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.403 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 948' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 949' ' ' ILE . . . -63.15 134.97 56.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.366 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 949' ' ' ILE . . . . . 0.493 ' O ' ' O ' ' A' ' 948' ' ' ALA . 43.6 pt 34.98 -162.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.219 0.533 . . . . 0.0 112.002 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -168.59 3.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.704 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 951' ' ' LEU . 10.2 mp -94.02 133.46 37.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.193 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.38 173.49 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 953' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 1.6 p30 -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.834 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 954' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 38.1 t70 -65.64 -39.92 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.258 0.551 . . . . 0.0 109.988 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.43 -38.1 80.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.9 -44.05 91.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.052 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -62.45 -39.71 94.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.36 -39.2 92.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.1 t90 -64.24 -48.95 73.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.64 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 960' ' ' GLN . . . . . 0.412 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 82.7 mm-40 -61.96 -36.67 82.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.246 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.95 -37.59 86.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.576 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 962' ' ' ILE . . . . . 0.489 HD13 ' CE3' ' A' ' 997' ' ' TRP . 4.0 tp -70.43 -37.96 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.035 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.5 mt -61.16 -42.85 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.19 -41.0 92.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.288 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.16 -42.45 94.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.241 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -74.54 -1.91 23.5 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.255 0.55 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 55.87 26.82 10.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.179 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -147.3 -152.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.84 136.25 54.26 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.762 0.315 . . . . 0.0 111.216 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 6.5 mtm -136.89 -173.07 3.34 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.179 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 971' ' ' THR . . . . . 0.454 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 43.0 p -118.83 159.16 24.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.86 -43.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -52.79 -49.05 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.42 -45.47 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.49 -44.65 96.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.76 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 976' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -59.04 -43.24 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.58 -179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 977' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 977' ' ' ASP . 65.3 t0 -66.49 -35.3 79.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.11 0.481 . . . . 0.0 110.21 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.55 -46.47 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.063 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.62 -41.85 71.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.92 -47.72 74.02 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.399 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -64.95 -45.14 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.94 67.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 111.276 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.76 -22.29 66.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.641 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 27.0 t -79.58 -1.98 40.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.57 17.18 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.44 147.98 52.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 111.022 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 58.4 m -103.7 -5.59 22.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.746 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -45.98 148.19 1.51 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.21 -32.96 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.764 1.642 . . . . 0.0 111.343 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.46 -27.76 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.163 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 36.9 m -71.69 -50.49 29.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -39.57 88.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -62.58 -41.78 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.042 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -62.09 -44.46 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.59 -42.33 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.614 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 997' ' ' TRP . . . . . 0.489 ' CE3' HD13 ' A' ' 962' ' ' ILE . 68.3 t90 -53.29 -41.34 65.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.94 -40.05 95.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.3 -47.66 83.29 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.89 -40.17 94.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -60.29 -47.62 85.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.275 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -66.43 -28.88 68.95 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.088 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -69.87 -45.45 67.68 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.01 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.17 -36.32 79.44 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.76 -33.41 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 109.987 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.288 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.932 0.396 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.43 -45.65 92.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -67.47 -40.98 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 0.0 110.651 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.0 -38.8 92.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.792 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.18 -44.28 92.16 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.85 -39.34 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.745 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.29 -43.72 93.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.235 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 962' ' ' ILE . 21.1 t90 -65.56 -46.77 78.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.156 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.407 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.8 mm-40 -64.03 -37.07 86.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.226 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.84 -36.95 81.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.3 tt -66.06 -39.04 83.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 967' ' ' ARG . 78.1 mt -60.66 -43.37 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.283 178.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -57.87 -40.52 80.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.29 -44.67 96.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.376 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -85.36 -4.89 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 963' ' ' ILE . 91.0 mtt-85 50.88 15.8 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.636 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -134.95 135.67 41.67 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.15 128.01 34.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.029 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 971' ' ' THR . 2.5 ppp? -125.52 162.0 25.89 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.078 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.544 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 25.7 p -86.03 155.04 21.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.275 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.64 -42.02 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.405 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -52.36 -48.59 65.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.544 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.21 -42.5 81.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.102 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -60.2 -45.32 93.57 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.218 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.95 -40.06 94.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.246 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -64.91 -41.86 95.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.79 -48.85 72.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.937 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 39.9 pttt -67.75 -42.58 81.58 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.2 tt0 -52.01 -52.42 50.82 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.942 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.85 -44.86 88.39 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.617 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.87 71.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.076 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 983' ' ' LEU . 6.1 mp -65.58 -24.78 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 29.5 t -78.26 3.64 14.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.75 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.05 28.68 25.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.65 145.75 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.977 0.389 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 49.8 m -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.938 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -43.66 148.85 0.67 Allowed Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.03 -31.58 91.26 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.916 1.744 . . . . 0.0 111.55 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.22 -27.68 63.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.636 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 2.4 t -73.02 -52.78 13.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.511 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -37.58 87.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -65.97 -39.15 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.25 -46.3 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.241 0.543 . . . . 0.0 109.839 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -59.27 -39.41 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.04 95.9 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.35 -39.42 70.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.35 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.33 -44.22 88.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.5 -43.3 99.12 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -58.74 -41.33 86.24 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.791 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.895 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.66 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.45 -39.7 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.079 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.58 -42.55 78.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.053 0.454 . . . . 0.0 109.923 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -68.84 -37.67 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.415 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.8 -42.59 89.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.17 -38.31 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.37 -44.16 88.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.507 ' CE2' HD11 ' A' ' 963' ' ' ILE . 22.5 t90 -61.32 -49.29 77.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.442 . . . . 0.0 109.868 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.422 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.9 mm-40 -61.93 -37.05 83.23 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.36 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -65.23 -36.0 82.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 997' ' ' TRP . 3.2 tp -69.92 -38.54 75.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.507 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.7 mt -60.11 -42.53 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.34 -42.9 96.66 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.608 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -76.99 -0.63 25.16 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.926 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 52.29 42.62 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -162.48 -157.48 0.46 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -118.67 134.64 54.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.925 0.393 . . . . 0.0 111.223 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.5 mtm -136.48 -174.82 3.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.475 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.455 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 21.6 p -120.13 157.05 29.8 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.992 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.18 -44.46 52.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.646 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.03 -44.22 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -44.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -40.95 95.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -67.3 -37.97 84.24 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.61 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.25 -46.66 79.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.101 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 47.9 pttt -69.24 -44.2 72.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 37.7 tp10 -53.66 -51.83 61.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -64.62 -44.51 90.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.018 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.69 65.19 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.41 -22.52 66.23 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.727 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 18.2 t -79.4 -3.63 47.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.506 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.74 29.57 9.14 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.55 148.35 48.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 99.3 p -104.95 -2.25 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.05 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.82 152.41 1.79 Allowed Pre-proline 0 CA--C 1.531 0.213 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.85 -34.04 98.86 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.855 1.703 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.93 -34.01 76.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.701 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.6 t -69.41 -48.0 62.4 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.0 78.31 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.874 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.33 -39.93 95.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -62.13 -43.07 99.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.779 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -59.21 -42.56 91.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.75 97.81 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.374 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.486 ' CE2' HD12 ' A' ' 962' ' ' ILE . 81.1 t90 -53.62 -40.6 65.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.64 -40.46 97.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -63.51 -43.04 98.33 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.2 -41.87 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -60.58 -46.26 90.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.598 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.407 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -45.75 81.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.2 -42.96 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.09 -38.49 88.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.171 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.61 -44.08 93.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.187 0.518 . . . . 0.0 109.784 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.42 -37.8 87.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.729 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.84 -38.84 89.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.927 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.4 t90 -62.22 -48.05 81.72 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.467 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -63.44 -36.99 85.56 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.99 -39.18 93.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.74 -37.82 78.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 959' ' ' TRP . 70.8 mt -60.28 -43.43 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.294 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.81 -40.32 92.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.441 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 71.5 m95 -75.13 -3.78 34.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.044 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 55.7 20.17 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.579 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -149.28 141.59 24.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.17 135.17 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.735 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 10.2 mtm -132.35 -172.78 2.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.889 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 59.5 p -118.88 160.45 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.904 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.8 -43.2 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -50.18 -48.59 53.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.648 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.553 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.3 OUTLIER -57.24 -48.1 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.15 -43.5 98.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.272 0.558 . . . . 0.0 110.283 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.25 -43.25 96.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.395 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -67.5 -35.68 79.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.596 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.43 -47.2 80.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.556 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -69.16 -37.12 78.06 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.07 -50.23 74.85 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . 0.417 ' O ' ' OG ' ' A' ' 984' ' ' SER . 99.6 mtt180 -63.48 -46.62 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.393 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.61 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 111.205 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.82 -21.79 65.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 96.6 p -79.6 -3.34 46.59 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.469 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.98 29.4 8.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.97 149.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.05 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -112.84 -0.95 14.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.98 150.69 5.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.85 -32.02 93.93 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.733 1.622 . . . . 0.0 111.486 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.25 -32.88 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.091 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 66.8 m -70.58 -52.98 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.22 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.18 -39.3 92.71 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.661 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 17.9 mmm180 -62.76 -39.07 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.09 -47.16 87.59 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.27 -40.98 87.76 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.55 93.95 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -53.46 -42.38 67.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.24 -47.6 83.66 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.415 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.06 -42.27 94.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -62.36 -44.03 97.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.309 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.837 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.71 -44.76 96.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.17 -42.89 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.802 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.28 -42.45 88.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.168 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.31 -43.87 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 110.132 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.42 -37.43 87.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -66.1 -40.55 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.077 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.746 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.5 t90 -63.13 -45.97 89.44 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.871 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.486 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.6 mm-40 -64.63 -38.08 89.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.984 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.43 -37.67 87.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.632 HD12 ' NE1' ' A' ' 966' ' ' TRP . 0.4 OUTLIER -68.86 -40.13 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.8 mt -59.98 -43.6 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.185 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -60.14 -38.82 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.59 -44.97 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.496 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.632 ' NE1' HD12 ' A' ' 962' ' ' ILE . 31.3 m95 -74.2 -2.33 24.3 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.554 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 52.6 30.8 9.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.011 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -146.1 -149.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.12 141.42 44.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -154.44 175.57 13.42 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 37.3 p -95.92 162.86 13.39 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.532 0.682 . . . . 0.0 112.465 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.46 -42.59 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.184 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.54 -41.81 73.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.371 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.536 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.2 OUTLIER -62.86 -39.68 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.947 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.46 -44.83 95.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.517 ' HA ' ' HZ2' ' A' ' 979' ' ' LYS . 7.8 mp -61.91 -38.59 88.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.671 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.99 -37.64 88.31 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.696 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.97 -47.31 75.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.248 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.517 ' HZ2' ' HA ' ' A' ' 976' ' ' LEU . 19.1 pttm -66.91 -44.99 79.32 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.8 tt0 -53.94 -45.91 71.38 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.566 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -63.29 -47.24 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.86 -47.27 78.51 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.172 0.511 . . . . 0.0 111.219 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.39 -26.01 68.55 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.411 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 1.8 t -79.14 0.13 29.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.822 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.61 29.28 16.71 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.38 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.53 145.49 53.97 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 4.6 t -100.99 -5.48 25.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -42.37 151.21 0.37 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.97 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -59.51 -30.05 91.51 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.378 1.385 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.23 -27.41 62.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.045 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 16.3 p -71.06 -53.96 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . 0.436 ' N ' ' OG ' ' A' ' 991' ' ' SER . 0.2 OUTLIER -64.78 -42.19 95.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.214 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.8 -38.02 89.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.43 -45.25 95.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.063 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.32 -43.11 99.41 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 0.0 109.395 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.84 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.171 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -53.17 -41.15 64.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.44 -42.36 99.4 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.41 -45.93 92.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.53 -41.53 90.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -64.39 -40.8 96.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.605 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 . . . . . 0 C--O 1.231 0.087 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 40.8 p-10 -63.49 -36.23 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.032 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 56.5 t0 -71.6 -41.12 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.303 0.573 . . . . 0.0 109.739 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.7 -38.56 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.632 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.66 -43.96 90.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.65 -38.39 87.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.068 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.77 -40.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.644 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.1 t90 -63.25 -43.52 97.77 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.488 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.1 mm-40 -65.15 -34.8 79.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.023 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -64.51 -39.52 93.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.6 tp -68.89 -36.52 74.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 959' ' ' TRP . 78.3 mt -60.13 -43.3 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.02 -42.42 94.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.553 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 82.1 m-20 -64.48 -40.52 95.83 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.054 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.527 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 80.4 m95 -73.92 -0.06 14.94 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.847 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 55.52 14.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.03 152.2 33.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.427 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -76.91 132.93 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 3.5 ptm -137.28 -166.98 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 81.1 p -116.13 164.86 13.85 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.357 0.598 . . . . 0.0 111.82 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.68 -42.57 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.731 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -49.89 -48.55 51.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -57.98 -46.01 85.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.469 . . . . 0.0 109.748 179.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.61 -48.33 79.88 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.113 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.5 -45.45 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.139 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.62 -47.4 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.143 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.633 ' O ' HD13 ' A' ' 983' ' ' LEU . 33.1 pttt -70.53 -39.67 73.91 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.852 0.358 . . . . 0.0 110.148 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.72 -50.25 73.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.99 -43.69 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.29 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.994 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 979' ' ' LYS . 10.3 mp -68.54 -27.08 65.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 38.3 t -77.82 -1.05 29.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.964 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.95 30.05 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.404 -0.426 . . . . 0.0 112.184 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.83 144.88 56.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.203 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -107.65 0.88 22.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.41 151.04 0.78 Allowed Pre-proline 0 C--O 1.226 -0.148 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.67 -41.95 70.32 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 121.522 1.482 . . . . 0.0 111.157 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -67.11 -36.03 81.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.792 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 62.0 m -64.93 -53.12 51.35 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.28 -39.26 92.33 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.198 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.93 -40.21 96.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.86 -45.3 95.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.19 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.56 -41.54 90.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.266 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.553 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 61.5 t90 -54.0 -41.05 67.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.189 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -39.19 89.57 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -62.51 -41.84 99.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.434 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.76 -42.83 97.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.414 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -72.76 -33.42 66.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.469 -0.892 . . . . 0.0 109.782 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.407 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 30.4 p-10 -61.48 -37.21 82.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.181 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 66.1 t0 -71.23 -39.45 71.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.723 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -66.25 -40.61 90.3 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.976 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -59.58 -42.99 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.19 -36.1 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.793 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.02 -36.17 81.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.373 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.525 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 29.4 t90 -67.93 -47.69 68.0 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 109.863 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.525 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.3 mm-40 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.229 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.266 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -67.07 -38.06 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.0 -43.58 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.87 -42.38 89.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.535 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 43.0 m-20 -62.37 -43.08 99.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.032 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -78.1 -4.83 49.35 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.79 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 51.38 40.22 26.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -152.78 -132.55 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.755 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -152.07 145.35 24.71 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.027 0.441 . . . . 0.0 111.137 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -153.93 -171.24 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.462 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.548 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 72.0 p -118.6 161.09 20.63 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.146 0.498 . . . . 0.0 110.809 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 18.0 t -60.34 -43.44 93.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.542 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -54.7 -44.12 73.13 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.17 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.548 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.5 OUTLIER -59.5 -42.62 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.46 -45.94 90.76 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.59 -39.98 95.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.472 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.16 -37.64 81.23 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.686 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.418 HD21 ' CG ' ' A' ' 994' ' ' TYR . 2.9 tt -64.76 -47.95 76.31 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.954 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -68.18 -40.46 82.26 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -54.53 -49.01 71.26 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.253 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.31 -43.63 90.42 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.391 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.56 76.14 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.023 0.439 . . . . 0.0 111.085 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.18 -22.1 65.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.832 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.5 m -79.51 -3.35 46.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.22 25.01 17.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.79 151.14 46.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.876 0.338 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 91.6 p -109.47 -2.28 17.79 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.788 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -48.72 149.95 2.8 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 17.8 Cg_endo -57.72 -36.9 98.24 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 C-N-CA 121.396 1.398 . . . . 0.0 111.552 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -68.22 -30.98 70.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 71.6 m -68.66 -54.11 18.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.797 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -67.46 -37.59 83.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 6.7 mmp_? -62.91 -40.49 97.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . 0.418 ' CG ' HD21 ' A' ' 978' ' ' LEU . 44.0 t80 -62.34 -46.76 87.23 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -58.75 -41.19 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.0 96.54 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.885 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.535 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 51.1 t90 -55.83 -40.85 73.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.4 -40.43 97.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.08 -45.88 91.43 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.351 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.33 -40.18 96.59 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.33 0.586 . . . . 0.0 109.726 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -61.28 -45.82 92.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.728 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.8 0.333 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 41.1 p-10 -62.29 -38.37 89.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.513 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 8.9 p-10 -72.5 -37.94 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.879 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -69.46 -40.86 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -61.95 -43.65 98.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.25 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -66.18 -39.81 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.216 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.625 ' CE2' HD11 ' A' ' 963' ' ' ILE . 26.7 t90 -65.58 -46.33 79.8 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.149 0.499 . . . . 0.0 110.121 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.483 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.4 mm-40 -63.97 -38.98 93.05 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.189 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -65.32 -36.71 84.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.188 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.4 tt -68.98 -38.73 78.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.625 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -61.02 -43.8 96.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.858 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -63.07 -38.72 92.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.525 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -58.45 -44.92 89.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.865 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.517 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 43.7 m95 -76.8 -3.25 37.39 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.86 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.36 17.25 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.125 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -132.44 -141.9 0.21 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 969' ' ' GLU . 1.9 pm0 -144.15 130.71 20.02 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.713 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.517 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 5.8 ptm -140.66 147.37 39.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.069 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.5 p -79.55 168.64 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.28 0.562 . . . . 0.0 111.92 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.5 -44.26 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.074 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -54.31 -40.52 68.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -61.6 -45.03 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.576 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 979' ' ' LYS . 91.3 mt -62.59 -35.47 79.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -67.61 -35.84 79.71 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.13 -45.36 77.36 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.038 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 43.8 pttt -66.81 -44.34 81.44 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 85.3 tt0 -56.14 -50.78 70.17 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.313 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.85 -47.1 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.848 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.66 -49.25 73.96 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.795 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.43 -26.35 68.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.323 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 90.1 p -78.37 -0.84 30.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 92.07 27.42 16.19 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.129 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.2 142.05 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 45.0 m -97.26 -4.74 38.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -43.18 150.04 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.07 -32.69 91.98 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.577 1.518 . . . . 0.0 110.749 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -65.46 -42.07 92.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.929 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.3 t -63.4 -51.09 67.27 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . 0.547 HE21 ' C ' ' A' ' 992' ' ' GLN . 0.0 OUTLIER -67.93 -37.41 81.61 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.11 -179.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.35 -39.44 94.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . 0.489 ' CE2' HD11 ' A' ' 998' ' ' LEU . 50.8 t80 -61.61 -44.34 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.712 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -61.12 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.82 86.33 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.525 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 53.9 t90 -55.36 -41.3 72.36 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 994' ' ' TYR . 77.5 mt -63.51 -38.89 92.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.09 99.68 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.955 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.29 -43.94 95.83 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.45 -43.16 99.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.833 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.952 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.737 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.07 -40.16 92.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 18.1 p-10 -72.73 -43.56 62.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.462 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.6 -40.96 98.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.037 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -60.23 -44.2 95.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.56 -41.56 98.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.206 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 958' ' ' GLU . 0.2 OUTLIER -63.76 -37.67 88.23 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.47 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.4 t90 -63.73 -48.4 77.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.166 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.47 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 87.6 mm-40 -65.41 -38.38 89.76 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.651 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -66.2 -36.03 81.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -68.85 -38.99 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.0 mt -61.27 -42.6 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.393 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.38 -41.58 85.13 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.466 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 40.8 t0 -64.34 -44.34 91.76 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.634 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -75.33 -2.18 27.14 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 52.76 14.92 0.47 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -137.15 140.31 41.75 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.25 137.05 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 111.984 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 11.6 mtm -134.92 -177.14 4.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.996 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.458 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 43.2 p -118.76 160.51 21.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.423 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.417 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.98 -40.56 63.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.907 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -62.59 -43.34 99.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.08 -45.63 92.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.817 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.0 -39.03 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.296 0.569 . . . . 0.0 109.801 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.73 -39.27 84.27 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.841 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.82 -45.8 77.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.117 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 50.6 pttt -66.69 -43.32 84.73 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 50.3 tp10 -53.24 -50.67 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.596 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.14 -50.33 70.86 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.684 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . 0.413 ' HB1' HD21 ' A' ' 995' ' ' ASN . . . -59.82 -50.54 73.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.539 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.84 -23.38 66.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 16.9 t -78.69 3.01 17.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.315 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.14 25.41 24.34 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.92 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.39 145.67 50.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.274 0.537 . . . . 0.0 109.989 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 83.6 p -106.1 -3.46 21.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.372 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.17 150.22 0.4 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.908 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.3 Cg_endo -57.31 -30.83 89.08 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.767 1.645 . . . . 0.0 110.912 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.95 -26.41 61.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.048 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 20.7 p -73.77 -53.62 9.88 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.637 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . 0.428 ' N ' ' OG ' ' A' ' 991' ' ' SER . 1.4 pt20 -64.97 -39.98 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 28.2 mmt180 -64.26 -41.48 96.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.922 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.34 -44.27 95.36 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . 0.42 ' N ' HD22 ' A' ' 995' ' ' ASN . 2.1 m120 -60.25 -41.32 92.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.67 95.84 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.506 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.466 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 55.8 t90 -53.88 -41.28 67.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.247 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.5 -40.16 96.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.34 -48.94 77.61 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.24 -41.2 96.48 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -60.18 -43.02 96.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.332 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.569 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.689 0.28 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.61 -43.53 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.2 -42.07 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.67 -36.3 83.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.87 -45.74 89.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.13 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.2 -37.21 86.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.45 -45.56 92.53 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.473 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.7 t90 -66.13 -47.33 74.43 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.44 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.473 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.8 mm-40 -62.71 -40.26 96.59 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.341 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.31 -36.03 82.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.767 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.0 -36.9 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 959' ' ' TRP . 74.8 mt -61.99 -43.57 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -61.08 -41.21 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.663 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.03 -45.56 92.4 Favored 'General case' 0 CA--C 1.533 0.288 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.134 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 40.6 m95 -77.39 -3.41 40.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.328 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 54.32 19.48 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -145.97 146.31 30.97 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.847 0.356 . . . . 0.0 110.15 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -74.26 137.36 42.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.909 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.8 ptm -150.41 153.69 36.42 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.182 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.495 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.6 p -79.84 166.63 21.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 0.0 112.129 -178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -62.71 -43.72 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.379 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.93 -46.91 64.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -55.05 -45.17 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.35 -44.75 96.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 109.88 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 976' ' ' LEU . 4.9 tt -60.83 -42.46 97.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.277 0.561 . . . . 0.0 110.054 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.78 -35.98 81.62 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.863 -0.735 . . . . 0.0 109.256 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.96 -45.52 77.48 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -67.01 -42.58 84.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.51 -51.17 69.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.043 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.43 -47.84 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.632 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.82 76.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.947 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.11 -22.53 66.4 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.346 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.7 t -78.83 -2.2 38.55 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.35 27.81 12.66 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.508 -0.377 . . . . 0.0 112.406 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.84 48.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.28 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 32.2 t -99.58 -2.37 35.85 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.45 148.97 0.4 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.927 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.44 ' C ' ' HE ' ' A' ' 993' ' ' ARG . 22.8 Cg_endo -60.23 -30.13 90.53 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.007 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . 0.456 ' OD1' ' NH2' ' A' ' 993' ' ' ARG . 74.2 m-20 -71.68 -33.15 68.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -50.61 39.62 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.206 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.06 96.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.63 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 990' ' ' ASP . 82.6 mtm180 -63.84 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -61.99 -45.58 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.274 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . 0.606 ' N ' HD22 ' A' ' 995' ' ' ASN . 0.8 OUTLIER -61.94 -41.52 98.05 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.02 93.46 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -53.74 -41.23 66.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.49 -46.7 84.94 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.733 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.45 -40.73 92.2 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -59.03 -43.95 91.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.326 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.779 0.323 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -58.66 -39.62 81.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.039 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -69.31 -39.87 78.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.2 -37.92 81.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.182 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.86 -43.76 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.063 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.28 -38.34 90.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.391 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.46 -44.15 91.97 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.455 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 24.7 t90 -62.76 -47.7 82.39 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.043 0.449 . . . . 0.0 110.201 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.455 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 92.7 mm-40 -64.55 -38.5 91.24 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.515 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.34 -38.73 91.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.52 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 959' ' ' TRP . 5.4 tt -68.47 -37.46 77.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.419 HD11 ' CE2' ' A' ' 959' ' ' TRP . 85.8 mt -61.44 -43.46 96.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -58.44 -42.09 86.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.11 -40.66 98.27 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -74.52 -3.16 29.17 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 53.62 34.74 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.746 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 969' ' ' GLU . 10.7 ptmm? -153.39 -146.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' A' ' 968' ' ' LYS . 16.2 tm-20 -141.39 137.32 32.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -145.71 -171.93 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.732 179.049 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.516 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 73.0 p -117.96 163.46 16.54 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.03 0.443 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.8 t -59.7 -43.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.617 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -53.6 -44.01 69.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -60.02 -47.9 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.33 -44.16 95.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -40.34 92.76 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.649 0.738 . . . . 0.0 109.932 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.33 -43.41 81.63 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.404 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.47 -48.22 78.6 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.771 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -65.89 -35.54 80.91 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.1 -54.66 40.29 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.161 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -65.23 -43.68 90.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.516 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.15 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.488 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.97 -22.41 65.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.4 p -78.23 -3.73 44.18 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.6 28.32 10.5 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.43 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.438 ' HB1' ' OD2' ' A' ' 988' ' ' ASP . . . -69.83 153.46 43.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.04 0.42 . . . . 0.0 110.056 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 86.6 p -107.23 0.95 23.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.422 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 991' ' ' SER . 2.2 p30 -50.02 148.8 5.48 Favored Pre-proline 0 C--N 1.332 -0.168 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -57.85 -33.24 96.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.66 1.573 . . . . 0.0 111.846 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.02 -35.83 80.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 5.4 t -68.1 -52.54 33.86 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.799 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.68 -41.03 92.91 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.189 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.37 -40.12 95.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 109.945 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.19 -44.78 96.75 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -61.46 -41.91 97.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.32 96.01 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.619 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -53.79 -42.17 68.06 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.94 -39.99 96.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.034 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.63 -45.45 92.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -73.37 -31.87 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.398 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.747 -179.645 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.46 -42.94 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.87 -43.95 86.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.203 0.525 . . . . 0.0 110.012 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.37 -37.66 80.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.83 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.05 -44.95 94.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.353 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 957' ' ' ASP . 67.4 t0 -63.69 -38.17 90.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -66.26 -42.88 87.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.429 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -63.85 -47.95 78.7 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.843 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.429 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.7 mm-40 -57.24 -39.56 75.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.433 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.85 -35.86 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.275 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.59 -37.64 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.41 -45.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.97 -39.59 90.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.317 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 57.9 t0 -61.76 -46.71 88.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.275 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 29.3 m95 -76.32 -4.53 42.6 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.864 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 54.34 15.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.99 152.6 39.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.13 138.31 47.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.142 0.496 . . . . 0.0 111.733 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.9 OUTLIER -137.87 -166.31 1.94 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 82.1 p -119.88 156.85 29.93 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.189 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.3 t -62.11 -42.62 95.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -48.63 -48.48 39.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.965 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -62.6 -47.8 82.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.081 0.467 . . . . 0.0 110.675 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.3 -40.67 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -68.63 -38.69 80.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.495 0.664 . . . . 0.0 109.517 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.51 -48.59 76.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.633 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -44.82 69.59 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.202 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -53.22 -52.7 58.06 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.92 -47.61 84.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.03 75.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.429 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.05 -24.77 67.83 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.233 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.96 -2.33 39.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.826 0.346 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.81 24.05 16.49 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.324 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.47 146.64 53.78 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.909 0.355 . . . . 0.0 110.282 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 88.4 p -104.31 -3.06 24.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.6 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -43.1 149.99 0.49 Allowed Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.49 -33.3 97.89 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.51 1.474 . . . . 0.0 110.805 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.81 -38.85 90.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.471 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.8 t -66.18 -51.31 59.0 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.36 -38.65 91.78 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.414 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -39.88 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.44 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -61.22 -41.02 96.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.367 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.74 89.4 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 61.0 t90 -53.79 -41.77 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -39.29 93.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.89 -49.79 76.45 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.47 -42.74 99.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -60.6 -44.89 95.76 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.256 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.074 -178.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.668 0.27 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.16 -41.6 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.13 -41.22 97.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.35 0.595 . . . . 0.0 109.429 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -68.79 -41.3 78.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.644 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.1 -45.19 95.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.902 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -64.37 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.832 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.25 -41.22 97.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.908 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' A' ' 963' ' ' ILE . 18.6 t90 -64.92 -49.51 70.14 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.451 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 95.0 mm-40 -62.94 -39.73 95.5 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.352 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.32 -37.93 89.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.312 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.6 tt -68.84 -38.08 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 959' ' ' TRP . 68.8 mt -60.97 -43.63 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.409 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -60.88 -39.67 90.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.24 -43.74 95.84 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.309 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -75.77 -2.54 30.3 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.946 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 58.76 15.59 3.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.237 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.99 143.87 29.75 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.08 136.74 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.294 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.9 mtm -138.8 -179.75 6.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.813 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.9 p -118.85 164.52 15.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.02 -42.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.282 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -54.58 -48.53 72.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.1 mp0 -60.35 -41.24 93.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.077 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -41.8 89.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.743 0.783 . . . . 0.0 109.124 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.82 -42.17 95.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.25 -48.75 76.89 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.073 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 983' ' ' LEU . 0.3 OUTLIER -66.08 -35.67 81.15 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.483 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -63.04 -53.94 45.88 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -60.92 -46.15 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.42 85.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 111.173 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 979' ' ' LYS . 1.7 mp -62.61 -26.6 68.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 14.5 m -78.02 -3.14 40.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.618 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 88.92 27.24 24.4 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.341 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.87 144.26 56.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.308 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.1 m -90.97 -8.85 48.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -40.66 148.94 0.34 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.4 -30.99 92.09 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.065 1.843 . . . . 0.0 111.327 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -70.16 -31.51 69.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.7 t -71.17 -51.77 22.96 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.265 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.822 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.92 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.84 -45.02 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.061 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.83 -41.83 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.62 94.02 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.466 -0.493 . . . . 0.0 109.903 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -53.63 -41.85 67.16 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.82 -37.79 88.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.77 -40.65 97.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.08 -42.22 98.09 Favored 'General case' 0 N--CA 1.458 -0.057 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -65.22 -44.28 88.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.844 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.687 -178.805 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 . . . . . 0 N--CA 1.459 -0.02 0 CA-C-O 120.721 0.295 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.82 -46.42 84.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -64.12 -42.29 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.85 -37.45 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.145 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.53 -44.58 89.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.118 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.91 -38.24 90.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.176 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.76 -41.69 95.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.536 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.5 t90 -65.48 -46.92 77.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.074 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.536 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 61.1 mm-40 -64.57 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.157 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.16 -38.08 89.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.07 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -67.91 -37.78 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -59.9 -43.94 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -60.59 -41.25 94.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -61.6 -43.64 98.49 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.612 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.0 m95 -78.18 -3.55 43.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.432 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 53.52 14.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -139.1 147.14 41.57 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -76.59 137.74 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 112.03 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.1 ptm -145.91 170.18 17.1 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.411 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.543 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.8 p -92.42 163.72 13.75 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 111.824 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.79 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.623 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.34 -44.25 68.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.543 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.2 mp0 -60.02 -39.11 84.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -62.14 -44.43 96.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.153 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -66.79 -36.5 82.54 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.791 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.44 -46.98 80.83 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 46.2 pttt -69.9 -45.77 66.87 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.514 -0.475 . . . . 0.0 109.867 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 80.4 tt0 -51.02 -51.67 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.29 -47.27 85.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.582 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.62 77.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.124 0.488 . . . . 0.0 111.591 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.79 -26.07 68.47 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.918 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.2 p -79.24 -1.23 35.52 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.335 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.5 26.1 16.5 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.294 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.5 141.99 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.419 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 67.9 m -98.98 -6.95 27.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.19 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.32 149.47 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -58.95 -31.31 95.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.751 1.634 . . . . 0.0 111.014 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -66.9 -38.4 86.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 4.9 t -69.28 -52.12 30.58 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.13 -38.69 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.344 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -64.22 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.42 -45.52 93.98 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.85 -40.79 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.77 97.18 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 62.0 t90 -54.6 -41.44 69.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.33 -38.91 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.4 -43.89 96.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.21 -42.41 98.55 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -60.85 -42.51 97.95 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.592 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.928 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.965 179.431 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -44.25 95.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -65.91 -41.83 90.95 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.47 -40.56 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.64 -42.84 97.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.294 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.37 -39.49 94.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.79 -40.1 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 963' ' ' ILE . 28.4 t90 -65.97 -45.55 81.32 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.481 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 69.4 mm-40 -63.07 -40.01 96.42 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.68 -37.49 87.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.348 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.3 tt -68.32 -37.53 78.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.634 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.0 mt -59.47 -43.95 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.226 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -62.29 -38.46 89.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.69 -42.8 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.588 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 60.0 m95 -80.28 -1.06 39.21 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.348 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 56.6 14.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.549 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -147.95 156.21 42.41 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.23 148.16 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.257 0.551 . . . . 0.0 112.224 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.588 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 4.8 ptm -153.77 156.76 38.34 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.602 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.8 p -81.72 163.54 22.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.246 0.546 . . . . 0.0 111.665 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.8 t -65.99 -43.32 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.934 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.51 -40.03 65.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.027 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.65 -41.17 89.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -60.62 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.039 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.13 -41.39 98.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.204 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -66.62 -40.57 88.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.95 -45.96 83.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.078 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 7.8 pttp -69.96 -41.6 74.29 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 78.5 tt0 -54.8 -50.05 69.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.11 -44.17 93.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.45 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . 0.633 ' HB1' HD21 ' A' ' 995' ' ' ASN . . . -65.73 -41.85 91.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.77 -24.53 63.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 33.1 t -78.79 -4.35 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.93 28.02 14.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.5 151.43 47.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 0.38 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.95 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.66 148.89 4.76 Favored Pre-proline 0 C--N 1.331 -0.217 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.08 -34.82 98.92 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.622 1.548 . . . . 0.0 111.394 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.7 -28.01 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 3.3 t -71.02 -52.86 17.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.419 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.34 -39.59 89.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.642 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -64.83 -39.86 94.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.887 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -62.28 -50.72 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . 0.633 HD21 ' HB1' ' A' ' 982' ' ' ALA . 1.4 m-80 -57.49 -40.67 79.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.02 75.66 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -56.82 -40.85 76.75 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.83 -40.11 95.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.52 -42.42 99.51 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.786 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.21 -42.08 94.37 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -60.11 -43.14 95.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.464 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -55.65 -42.35 74.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . 0.434 ' O ' ' OE2' ' A' ' 958' ' ' GLU . 47.1 t0 -64.19 -45.79 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.9 -38.69 91.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 110.749 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.179 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.84 -40.3 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.745 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 954' ' ' ASP . 0.7 OUTLIER -66.02 -42.35 89.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.711 -179.499 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.423 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 19.4 t90 -63.73 -51.22 65.94 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.423 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -56.15 -40.05 73.23 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.094 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -64.32 -34.96 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -65.11 -40.52 89.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.27 -43.83 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.0 -40.93 81.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.615 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -63.43 -45.74 89.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.114 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.401 ' NE1' HG12 ' A' ' 962' ' ' ILE . 23.5 m95 -81.15 -5.13 57.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.94 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 50.96 21.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -141.33 149.13 40.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.78 0.324 . . . . 0.0 110.241 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.72 140.34 51.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.726 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 971' ' ' THR . 1.3 ppp? -147.1 -170.88 3.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.329 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 23.4 p -119.97 157.9 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 0.0 111.079 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.17 -42.59 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.437 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -50.46 -49.6 54.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.177 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.81 -41.65 82.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.445 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.486 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.473 HD13 ' HD3' ' A' ' 979' ' ' LYS . 2.4 mm? -62.01 -39.41 92.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.68 -42.06 91.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.09 -48.59 75.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.148 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.473 ' HD3' HD13 ' A' ' 976' ' ' LEU . 17.9 ptmt -69.41 -40.79 77.09 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.15 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.55 -51.59 66.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.221 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.75 -47.74 79.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.753 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.71 66.54 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.408 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.78 -24.61 67.83 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.148 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.74 -3.74 45.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.705 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 97.94 27.29 9.0 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.27 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.77 153.58 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.104 0.452 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 19.2 m -111.7 -5.0 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.088 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -44.67 150.1 0.72 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.878 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -33.14 96.69 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.86 1.707 . . . . 0.0 111.525 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.17 -34.36 77.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.643 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.4 t -70.89 -51.91 23.35 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.838 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.52 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.458 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.08 -38.11 89.69 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.3 -44.68 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.578 . . . . 0.0 109.93 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -60.24 -41.31 92.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.06 95.73 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.597 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -53.21 -41.37 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.98 -40.41 97.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.48 -42.71 99.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.834 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.89 -41.86 98.39 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -61.05 -45.27 95.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.648 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.862 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.666 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -60.16 -44.5 94.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.82 -40.44 88.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 0.0 110.377 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.91 -40.35 94.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.072 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -60.01 -43.89 94.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.36 -39.74 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.105 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -65.61 -39.28 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.949 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.568 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 30.1 t90 -62.09 -47.99 82.19 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.568 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 60.8 mm-40 -58.38 -38.91 78.26 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.852 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.9 -35.73 81.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.18 -40.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.51 HD11 ' CZ2' ' A' ' 959' ' ' TRP . 44.2 mt -60.82 -43.48 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -57.2 -42.78 81.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 997' ' ' TRP . 17.7 t70 -61.8 -43.78 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.029 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 45.0 m95 -77.81 -3.06 39.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.067 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 49.92 20.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.536 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.01 153.36 41.4 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -76.1 130.55 38.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.578 . . . . 0.0 111.749 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.418 ' SD ' ' C ' ' A' ' 970' ' ' MET . 3.5 ppp? -145.82 154.85 42.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.944 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.479 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 65.6 p -83.13 167.31 17.91 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -177.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.5 -43.35 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.876 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.31 -46.33 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.56 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -52.74 -44.89 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -61.32 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.82 -37.9 86.14 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.309 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.4 tp -62.57 -49.08 76.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.462 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 10.2 ptmm? -68.13 -43.99 77.09 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.02 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 81.2 tt0 -53.15 -49.62 66.23 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.302 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.01 -48.69 75.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.59 -50.55 72.16 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.587 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.03 -25.91 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.507 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 11.9 t -78.05 0.22 25.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.853 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.9 29.09 21.7 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.889 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.85 145.73 53.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.117 0.484 . . . . 0.0 110.999 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 -4.04 35.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.2 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.48 150.85 0.49 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.29 -29.99 87.14 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.925 1.75 . . . . 0.0 111.436 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.45 -28.71 61.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.498 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.0 t -70.8 -49.7 43.61 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.0 94.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.34 -37.07 85.85 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -59.88 -43.09 94.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.14 93.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.554 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.405 ' CD1' ' OD1' ' A' ' 965' ' ' ASP . 71.3 t90 -55.61 -41.53 73.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.57 -40.74 97.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.33 -43.43 96.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.56 -43.41 97.29 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.54 -42.9 88.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.81 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.668 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -56.46 -45.05 81.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.103 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.29 -45.53 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 111.011 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -65.59 -38.46 89.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.256 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.94 -42.03 97.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -63.97 -34.93 79.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.235 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' A' ' 962' ' ' ILE . 12.8 tm-20 -66.2 -42.46 88.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.454 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.621 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.7 t90 -64.28 -48.31 76.17 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.419 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 93.5 mm-40 -63.66 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.586 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.04 -39.74 95.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.497 ' CD1' ' CE3' ' A' ' 997' ' ' TRP . 1.0 OUTLIER -68.09 -38.08 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 959' ' ' TRP . 84.5 mt -59.5 -44.19 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.553 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.02 -42.07 93.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.15 -46.52 90.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.522 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.6 m95 -76.71 -3.24 37.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.398 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 53.49 17.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.355 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -141.1 151.05 43.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.12 132.23 35.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.264 0.554 . . . . 0.0 112.394 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.9 ptm -138.03 144.95 41.27 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.552 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.7 p -77.6 166.5 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.706 0.765 . . . . 0.0 112.102 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.97 -42.45 96.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.747 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -55.25 -41.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.974 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.39 -37.73 84.46 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.26 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 976' ' ' LEU . 4.1 mm? -62.27 -42.56 99.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.025 0.44 . . . . 0.0 109.84 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 977' ' ' ASP . 67.0 t0 -67.85 -39.43 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.279 0.562 . . . . 0.0 110.449 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.07 -44.78 87.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.893 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 8.0 pttp -69.23 -44.79 71.31 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 84.8 tt0 -51.0 -51.48 52.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.753 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.24 -45.56 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.519 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.31 -51.95 65.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.59 -23.83 67.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.024 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 2.4 t -79.03 -1.62 36.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.19 25.43 19.32 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.936 -0.465 . . . . 0.0 111.936 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.14 146.51 54.56 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.299 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 100.0 p -109.19 2.07 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.157 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.71 150.51 2.5 Favored Pre-proline 0 C--N 1.333 -0.128 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.39 -41.07 80.1 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 121.187 1.258 . . . . 0.0 111.327 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.271 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 50.6 m -65.4 -50.67 64.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.97 -35.87 81.75 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.982 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.43 -39.55 94.04 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.71 -46.89 87.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.123 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -42.18 91.78 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.4 96.51 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.392 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.497 ' CE3' ' CD1' ' A' ' 962' ' ' ILE . 73.4 t90 -53.09 -40.71 64.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.85 -40.68 98.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.07 -46.18 82.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.716 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.12 -42.5 94.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -60.02 -43.17 95.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.764 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.183 -179.821 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.457 -0.102 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.59 -44.14 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.155 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -43.15 95.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.07 -41.52 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -63.24 -40.7 98.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.311 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.33 -35.91 81.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.547 ' CE2' HD11 ' A' ' 963' ' ' ILE . 32.7 t90 -65.83 -44.1 86.59 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.526 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.3 mm-40 -65.6 -38.03 88.3 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.823 178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -66.22 -37.16 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.49 -37.18 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.3 mt -59.44 -44.95 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -60.84 -40.45 92.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.1 -46.64 82.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.384 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 21.0 m95 -82.46 -4.49 57.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 49.88 20.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -137.7 151.79 48.6 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -77.42 144.0 38.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 111.209 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.7 OUTLIER -152.03 162.48 41.03 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 179.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.4 p -86.85 161.47 18.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.138 0.494 . . . . 0.0 111.658 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.67 -42.9 93.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.644 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.07 -44.59 79.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.186 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -58.87 -42.41 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.5 -44.46 96.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.161 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 976' ' ' LEU . 0.1 OUTLIER -60.86 -38.98 87.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.69 0.757 . . . . 0.0 109.062 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.126 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.42 -47.21 82.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.097 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -69.41 -41.67 76.07 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.956 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.33 -46.89 73.0 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.141 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 986' ' ' ALA . 81.5 mtp180 -64.32 -47.48 79.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.81 -48.4 76.98 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 111.68 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -25.93 67.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 23.0 t -79.0 -1.1 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.13 29.02 18.81 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 981' ' ' ARG . . . -64.17 151.33 43.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 9.8 t -109.31 -9.85 14.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.804 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 991' ' ' SER . 1.5 p30 -50.13 148.87 5.6 Favored Pre-proline 0 N--CA 1.463 0.184 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.432 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.17 -33.03 95.14 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.865 1.71 . . . . 0.0 112.152 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.5 -35.84 82.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . 0.52 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 20.7 m -70.98 -53.34 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.235 -178.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.25 -38.47 91.29 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.427 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 22.0 mmt85 -62.56 -41.5 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.86 -47.06 88.12 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.53 -40.73 79.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.19 94.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.911 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 53.8 t90 -54.33 -41.83 69.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.41 -40.89 98.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.77 -44.9 95.97 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.331 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.76 -42.26 98.75 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -59.55 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.786 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.928 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.63 -46.12 87.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.548 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.89 -42.71 97.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.443 . . . . 0.0 110.177 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.05 -37.05 80.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.2 -42.89 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.549 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.24 -36.98 85.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.894 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.1 -41.16 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.361 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.612 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.5 t90 -65.21 -46.45 80.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.504 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.0 mm-40 -64.2 -36.26 83.48 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.882 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.01 -38.37 90.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 962' ' ' ILE . 2.9 tt -68.86 -38.16 78.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 959' ' ' TRP . 89.1 mt -61.33 -43.36 96.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -60.69 -40.64 92.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.287 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.09 -46.04 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -78.25 -3.49 43.08 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 50.84 24.21 1.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.15 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.86 -137.32 0.16 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -145.09 143.72 30.56 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.411 0.624 . . . . 0.0 111.588 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.08 158.37 30.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.739 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 76.4 p -86.02 165.9 16.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.482 0.658 . . . . 0.0 112.535 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.68 -43.32 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.859 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.25 -40.49 64.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.247 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.1 OUTLIER -60.35 -41.66 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.78 -44.29 97.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.336 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -60.39 -40.95 92.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.34 -42.48 92.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.973 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.28 -46.69 82.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.356 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . 0.423 ' HD3' HD22 ' A' ' 976' ' ' LEU . 17.3 ptmt -69.67 -42.14 74.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.025 0.44 . . . . 0.0 110.158 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 44.5 tt0 -57.05 -50.99 71.06 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.339 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -63.65 -47.78 79.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.297 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.85 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.621 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.9 -21.41 66.0 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 28.0 t -79.1 -2.3 39.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.428 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.21 25.84 15.59 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.72 147.11 52.3 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.0 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.4 p -102.94 -1.37 29.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.039 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -46.89 150.32 1.34 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.804 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.36 -29.75 89.5 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 121.909 1.74 . . . . 0.0 111.223 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -71.21 -32.07 68.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.6 t -69.84 -51.1 36.37 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.274 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.29 -38.29 90.56 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -60.73 -43.54 97.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -60.37 -41.15 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.27 96.51 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.799 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -54.25 -42.17 69.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.07 -39.5 94.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.96 -42.43 97.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.39 -42.13 95.27 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -61.85 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.633 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.783 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 953' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 1.6 p30 -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.834 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 954' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 38.1 t70 -65.64 -39.92 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.258 0.551 . . . . 0.0 109.988 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.43 -38.1 80.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.9 -44.05 91.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.052 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -62.45 -39.71 94.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.36 -39.2 92.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 959' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.1 t90 -64.24 -48.95 73.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.64 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 960' ' ' GLN . . . . . 0.412 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 82.7 mm-40 -61.96 -36.67 82.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.246 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.95 -37.59 86.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.576 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 962' ' ' ILE . . . . . 0.489 HD13 ' CE3' ' A' ' 997' ' ' TRP . 4.0 tp -70.43 -37.96 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.035 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.5 mt -61.16 -42.85 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.19 -41.0 92.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.288 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.16 -42.45 94.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.241 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -74.54 -1.91 23.5 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.255 0.55 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 55.87 26.82 10.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.179 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -147.3 -152.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.84 136.25 54.26 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.762 0.315 . . . . 0.0 111.216 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 6.5 mtm -136.89 -173.07 3.34 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.179 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' THR . . . . . 0.454 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 43.0 p -118.83 159.16 24.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.86 -43.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -52.79 -49.05 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.42 -45.47 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.49 -44.65 96.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.76 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -59.04 -43.24 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.58 -179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 977' ' ' ASP . 65.3 t0 -66.49 -35.3 79.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.11 0.481 . . . . 0.0 110.21 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.55 -46.47 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.063 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.62 -41.85 71.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.92 -47.72 74.02 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.399 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -64.95 -45.14 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.94 67.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 111.276 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.76 -22.29 66.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.641 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 27.0 t -79.58 -1.98 40.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.57 17.18 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.44 147.98 52.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 111.022 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 58.4 m -103.7 -5.59 22.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.746 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -45.98 148.19 1.51 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.21 -32.96 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.764 1.642 . . . . 0.0 111.343 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.46 -27.76 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.163 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 36.9 m -71.69 -50.49 29.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -39.57 88.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -62.58 -41.78 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.042 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -62.09 -44.46 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.59 -42.33 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.614 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 997' ' ' TRP . . . . . 0.489 ' CE3' HD13 ' A' ' 962' ' ' ILE . 68.3 t90 -53.29 -41.34 65.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.94 -40.05 95.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.3 -47.66 83.29 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.89 -40.17 94.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -60.29 -47.62 85.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.275 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.886 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.088 -179.766 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 948' ' ' ALA . . . 51.64 -173.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.756 0.313 . . . . 0.0 110.369 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 23.5 mmt 42.64 24.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 946' ' ' ALA . . . -62.4 149.84 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.086 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 34.8 pt -64.46 139.46 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.512 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -123.36 25.65 8.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.37 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.98 149.94 44.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.211 0.529 . . . . 0.0 110.198 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -74.64 172.93 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.43 -45.65 92.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -67.47 -40.98 85.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.042 0.448 . . . . 0.0 110.651 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.0 -38.8 92.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.792 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.18 -44.28 92.16 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.85 -39.34 93.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.745 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.29 -43.72 93.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.235 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 962' ' ' ILE . 21.1 t90 -65.56 -46.77 78.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 110.156 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.407 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.8 mm-40 -64.03 -37.07 86.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.226 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.84 -36.95 81.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.909 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.3 tt -66.06 -39.04 83.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 967' ' ' ARG . 78.1 mt -60.66 -43.37 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.283 178.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -57.87 -40.52 80.41 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.29 -44.67 96.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.376 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -85.36 -4.89 59.3 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 963' ' ' ILE . 91.0 mtt-85 50.88 15.8 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.636 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -134.95 135.67 41.67 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.15 128.01 34.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.029 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 971' ' ' THR . 2.5 ppp? -125.52 162.0 25.89 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.078 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.544 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 25.7 p -86.03 155.04 21.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.228 -0.589 . . . . 0.0 111.275 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.64 -42.02 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.405 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -52.36 -48.59 65.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.334 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.544 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.21 -42.5 81.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.102 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -60.2 -45.32 93.57 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.218 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.95 -40.06 94.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.246 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -64.91 -41.86 95.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.79 -48.85 72.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.937 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 39.9 pttt -67.75 -42.58 81.58 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.2 tt0 -52.01 -52.42 50.82 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.942 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.85 -44.86 88.39 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.617 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.87 71.28 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.076 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 983' ' ' LEU . 6.1 mp -65.58 -24.78 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 29.5 t -78.26 3.64 14.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.75 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.05 28.68 25.0 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.65 145.75 53.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.977 0.389 . . . . 0.0 110.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 49.8 m -99.21 -9.09 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.938 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -43.66 148.85 0.67 Allowed Pre-proline 0 CA--C 1.533 0.302 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.03 -31.58 91.26 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.916 1.744 . . . . 0.0 111.55 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -71.22 -27.68 63.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.636 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 2.4 t -73.02 -52.78 13.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.511 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -37.58 87.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -65.97 -39.15 90.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.25 -46.3 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.241 0.543 . . . . 0.0 109.839 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -59.27 -39.41 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.04 95.9 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.35 -39.42 70.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.35 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.33 -44.22 88.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.5 -43.3 99.12 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -58.74 -41.33 86.24 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.791 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.31 73.93 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.658 ' O ' HD22 ' A' 1005 ' ' LEU . 99.8 mttt -71.98 -34.93 69.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.592 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -79.91 102.89 9.44 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.338 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.658 HD22 ' O ' ' A' 1003 ' ' LYS . 1.0 OUTLIER -97.05 159.3 14.99 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.913 0.387 . . . . 0.0 110.044 179.053 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.966 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 948' ' ' ALA . . . -65.37 146.57 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.389 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 56.1 mtm 41.85 24.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.961 0.41 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 946' ' ' ALA . . . -75.48 1.16 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.741 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.072 0.463 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . 61.05 25.57 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.724 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 950' ' ' ALA . 6.9 mp 54.18 167.04 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.093 0.473 . . . . 0.0 110.199 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 952' ' ' ARG . 0.1 OUTLIER -76.37 166.26 23.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.065 179.368 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.45 -39.7 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.079 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.58 -42.55 78.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.053 0.454 . . . . 0.0 109.923 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -68.84 -37.67 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.415 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.8 -42.59 89.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.17 -38.31 90.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.37 -44.16 88.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.507 ' CE2' HD11 ' A' ' 963' ' ' ILE . 22.5 t90 -61.32 -49.29 77.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.442 . . . . 0.0 109.868 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.422 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.9 mm-40 -61.93 -37.05 83.23 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.36 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -65.23 -36.0 82.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 997' ' ' TRP . 3.2 tp -69.92 -38.54 75.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.507 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.7 mt -60.11 -42.53 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . 0.569 HH22 HH12 ' A' 1004 ' ' ARG . 73.1 ttp85 -60.11 -41.79 93.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.34 -42.9 96.66 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.608 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -76.99 -0.63 25.16 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.926 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 52.29 42.62 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -162.48 -157.48 0.46 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -118.67 134.64 54.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.925 0.393 . . . . 0.0 111.223 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.5 mtm -136.48 -174.82 3.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.475 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.455 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 21.6 p -120.13 157.05 29.8 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.992 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.18 -44.46 52.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.646 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -60.03 -44.22 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -44.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -40.95 95.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -67.3 -37.97 84.24 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.61 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 32.5 tp -65.25 -46.66 79.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.101 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 47.9 pttt -69.24 -44.2 72.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 37.7 tp10 -53.66 -51.83 61.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.119 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -64.62 -44.51 90.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.018 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.69 65.19 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.41 -22.52 66.23 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.727 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 18.2 t -79.4 -3.63 47.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.506 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.74 29.57 9.14 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.55 148.35 48.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 99.3 p -104.95 -2.25 24.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.05 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.82 152.41 1.79 Allowed Pre-proline 0 CA--C 1.531 0.213 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.85 -34.04 98.86 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.855 1.703 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.93 -34.01 76.83 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.701 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.6 t -69.41 -48.0 62.4 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.0 78.31 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.874 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.33 -39.93 95.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -62.13 -43.07 99.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.779 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -59.21 -42.56 91.23 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.75 97.81 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.374 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.486 ' CE2' HD12 ' A' ' 962' ' ' ILE . 81.1 t90 -53.62 -40.6 65.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.64 -40.46 97.07 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -63.51 -43.04 98.33 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.2 -41.87 98.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -60.58 -46.26 90.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.598 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.9 -27.43 69.15 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.407 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -72.87 -44.75 60.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.483 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.569 HH12 HH22 ' A' ' 964' ' ' ARG . 41.5 ptt180 -85.29 30.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.119 -179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 2.2 tp -56.93 99.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 0.0 110.424 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.62 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.91 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.527 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 93.7 mtp 43.7 43.75 5.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.589 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -140.15 91.4 2.45 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.537 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 15.9 pt -121.25 145.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.219 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -86.4 23.83 1.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.26 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 950' ' ' ALA . 9.9 mp 55.24 157.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.167 0.508 . . . . 0.0 110.61 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -88.85 164.08 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.642 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -56.54 -45.75 81.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.2 -42.96 96.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.09 -38.49 88.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.171 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -59.61 -44.08 93.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.187 0.518 . . . . 0.0 109.784 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.42 -37.8 87.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.729 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.84 -38.84 89.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.927 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.57 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.4 t90 -62.22 -48.05 81.72 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.467 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -63.44 -36.99 85.56 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.99 -39.18 93.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . . . . . . . . . 3.6 tt -68.74 -37.82 78.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 959' ' ' TRP . 70.8 mt -60.28 -43.43 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.294 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.81 -40.32 92.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.79 -43.12 98.54 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.441 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 71.5 m95 -75.13 -3.78 34.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.044 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 55.7 20.17 3.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.579 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -149.28 141.59 24.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.17 135.17 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.735 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.441 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 10.2 mtm -132.35 -172.78 2.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.889 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 59.5 p -118.88 160.45 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.904 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.4 t -62.8 -43.2 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -50.18 -48.59 53.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.648 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.553 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.3 OUTLIER -57.24 -48.1 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -62.15 -43.5 98.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.272 0.558 . . . . 0.0 110.283 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.25 -43.25 96.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.395 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -67.5 -35.68 79.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.596 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.43 -47.2 80.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.556 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -69.16 -37.12 78.06 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.07 -50.23 74.85 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.781 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . 0.417 ' O ' ' OG ' ' A' ' 984' ' ' SER . 99.6 mtt180 -63.48 -46.62 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.393 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.61 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 111.205 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.82 -21.79 65.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 981' ' ' ARG . 96.6 p -79.6 -3.34 46.59 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.469 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.98 29.4 8.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -69.97 149.73 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.05 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -112.84 -0.95 14.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.386 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.98 150.69 5.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.85 -32.02 93.93 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.733 1.622 . . . . 0.0 111.486 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.25 -32.88 70.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.091 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 66.8 m -70.58 -52.98 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.22 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.18 -39.3 92.71 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.661 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 17.9 mmm180 -62.76 -39.07 93.03 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.09 -47.16 87.59 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.27 -40.98 87.76 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.55 93.95 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.764 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.4 t90 -53.46 -42.38 67.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.27 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.24 -47.6 83.66 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.415 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.06 -42.27 94.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' 1004 ' ' ARG . 69.4 ttt-85 -62.36 -44.03 97.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.309 179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -56.69 -35.24 68.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -74.23 -39.29 63.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.67 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' 1001 ' ' ARG . 42.5 ptt85 -123.87 124.38 42.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.146 0.498 . . . . 0.0 111.044 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' 1005 ' ' LEU . 0.6 OUTLIER -174.59 171.51 3.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.117 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.375 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -153.59 -164.92 2.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 948' ' ' ALA . 69.1 mmm -66.01 -41.8 90.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 947' ' ' MET . . . 42.4 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.599 178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 43.9 pt -135.54 149.66 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.034 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -151.0 42.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.402 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 950' ' ' ALA . 7.1 mp 55.68 157.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.32 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -70.89 173.6 7.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.139 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.71 -44.76 96.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.17 -42.89 79.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.802 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.28 -42.45 88.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.168 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.31 -43.87 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 110.132 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.42 -37.43 87.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -66.1 -40.55 90.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.077 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.746 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.5 t90 -63.13 -45.97 89.44 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.871 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.486 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 86.6 mm-40 -64.63 -38.08 89.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.984 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -65.43 -37.67 87.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.632 HD12 ' NE1' ' A' ' 966' ' ' TRP . 0.4 OUTLIER -68.86 -40.13 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.746 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.8 mt -59.98 -43.6 92.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.185 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -60.14 -38.82 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.59 -44.97 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.496 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.632 ' NE1' HD12 ' A' ' 962' ' ' ILE . 31.3 m95 -74.2 -2.33 24.3 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.554 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 52.6 30.8 9.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.011 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -146.1 -149.91 0.31 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -136.12 141.42 44.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -154.44 175.57 13.42 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.536 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 37.3 p -95.92 162.86 13.39 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.532 0.682 . . . . 0.0 112.465 -178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.46 -42.59 96.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.184 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.54 -41.81 73.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.371 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.536 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.2 OUTLIER -62.86 -39.68 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.947 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.46 -44.83 95.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.517 ' HA ' ' HZ2' ' A' ' 979' ' ' LYS . 7.8 mp -61.91 -38.59 88.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.671 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.99 -37.64 88.31 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.696 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.97 -47.31 75.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.248 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.517 ' HZ2' ' HA ' ' A' ' 976' ' ' LEU . 19.1 pttm -66.91 -44.99 79.32 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 41.8 tt0 -53.94 -45.91 71.38 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.566 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -63.29 -47.24 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.447 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.86 -47.27 78.51 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.172 0.511 . . . . 0.0 111.219 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.39 -26.01 68.55 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.411 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 1.8 t -79.14 0.13 29.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.822 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.61 29.28 16.71 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.38 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.53 145.49 53.97 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 4.6 t -100.99 -5.48 25.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -42.37 151.21 0.37 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.97 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -59.51 -30.05 91.51 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.378 1.385 . . . . 0.0 110.679 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -72.23 -27.41 62.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.045 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 16.3 p -71.06 -53.96 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . 0.436 ' N ' ' OG ' ' A' ' 991' ' ' SER . 0.2 OUTLIER -64.78 -42.19 95.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.214 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.8 -38.02 89.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.43 -45.25 95.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.063 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.32 -43.11 99.41 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 0.0 109.395 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.84 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.171 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -53.17 -41.15 64.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.44 -42.36 99.4 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.49 -0.929 . . . . 0.0 108.49 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -61.41 -45.93 92.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.53 -41.53 90.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -64.39 -40.8 96.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.605 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -54.39 -35.27 62.67 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.63 -34.7 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.406 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.7 -38.73 82.42 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.79 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.48 137.86 58.26 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.234 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.507 -179.703 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -72.83 141.81 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 58.4 ttm -93.27 78.94 4.47 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -73.81 -50.02 22.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.845 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 20.5 pt -69.81 -45.8 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . 60.36 1.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.89 142.88 42.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.315 0.578 . . . . 0.0 110.811 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -83.38 175.07 10.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.067 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 40.8 p-10 -63.49 -36.23 83.09 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.032 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 56.5 t0 -71.6 -41.12 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.303 0.573 . . . . 0.0 109.739 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.7 -38.56 89.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.632 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.66 -43.96 90.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.792 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.65 -38.39 87.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.068 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.77 -40.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.644 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.1 t90 -63.25 -43.52 97.77 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.488 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.1 mm-40 -65.15 -34.8 79.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.023 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -64.51 -39.52 93.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.463 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.6 tp -68.89 -36.52 74.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 959' ' ' TRP . 78.3 mt -60.13 -43.3 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -60.02 -42.42 94.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.553 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 82.1 m-20 -64.48 -40.52 95.83 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.054 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.527 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 80.4 m95 -73.92 -0.06 14.94 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.847 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 55.52 14.74 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.03 152.2 33.14 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.427 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -76.91 132.93 39.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 3.5 ptm -137.28 -166.98 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 81.1 p -116.13 164.86 13.85 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.357 0.598 . . . . 0.0 111.82 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.68 -42.57 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.731 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -49.89 -48.55 51.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -57.98 -46.01 85.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.469 . . . . 0.0 109.748 179.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -62.61 -48.33 79.88 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.113 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.5 -45.45 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.139 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.8 tp -66.62 -47.4 72.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.143 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.633 ' O ' HD13 ' A' ' 983' ' ' LEU . 33.1 pttt -70.53 -39.67 73.91 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.852 0.358 . . . . 0.0 110.148 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.72 -50.25 73.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.99 -43.69 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.29 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 110.994 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 979' ' ' LYS . 10.3 mp -68.54 -27.08 65.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 38.3 t -77.82 -1.05 29.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.964 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.7 20.95 30.05 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 121.404 -0.426 . . . . 0.0 112.184 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -65.83 144.88 56.56 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.203 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.2 p -107.65 0.88 22.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.41 151.04 0.78 Allowed Pre-proline 0 C--O 1.226 -0.148 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.67 -41.95 70.32 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 121.522 1.482 . . . . 0.0 111.157 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -67.11 -36.03 81.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.792 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 62.0 m -64.93 -53.12 51.35 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.28 -39.26 92.33 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.198 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.93 -40.21 96.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.86 -45.3 95.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.19 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.56 -41.54 90.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.266 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.553 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 61.5 t90 -54.0 -41.05 67.53 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.189 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.31 -39.19 89.57 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -62.51 -41.84 99.11 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.434 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.76 -42.83 97.74 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.414 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -72.76 -33.42 66.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.469 -0.892 . . . . 0.0 109.782 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.47 92.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 49.3 pttt -78.2 -31.68 49.59 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.23 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -87.47 108.17 18.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.752 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' 1005 ' ' LEU . 10.6 mp -100.28 137.22 39.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' 1005 ' ' LEU . 79.6 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.862 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -171.46 109.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 8.0 tpp -87.74 72.47 9.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.369 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -98.78 -56.54 2.41 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.23 156.87 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 110.54 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -57.13 -12.84 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.201 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 951' ' ' LEU . 11.1 mp -79.67 135.89 36.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.383 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -74.25 168.72 19.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.04 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 30.4 p-10 -61.48 -37.21 82.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.181 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 66.1 t0 -71.23 -39.45 71.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.723 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -66.25 -40.61 90.3 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.976 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -59.58 -42.99 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.19 -36.1 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.793 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.02 -36.17 81.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.373 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.525 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 29.4 t90 -67.93 -47.69 68.0 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.121 0.486 . . . . 0.0 109.863 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.525 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.3 mm-40 -65.54 -39.37 91.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.914 -0.714 . . . . 0.0 110.229 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.266 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -67.07 -38.06 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.0 -43.58 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -58.87 -42.38 89.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.535 ' OD2' ' NE1' ' A' ' 997' ' ' TRP . 43.0 m-20 -62.37 -43.08 99.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.032 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -78.1 -4.83 49.35 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.79 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 51.38 40.22 26.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.549 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -152.78 -132.55 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.755 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -152.07 145.35 24.71 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.027 0.441 . . . . 0.0 111.137 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -153.93 -171.24 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.462 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.548 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 72.0 p -118.6 161.09 20.63 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.146 0.498 . . . . 0.0 110.809 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . 0.414 HG13 HD21 ' A' ' 951' ' ' LEU . 18.0 t -60.34 -43.44 93.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.542 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -54.7 -44.12 73.13 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.17 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.548 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.5 OUTLIER -59.5 -42.62 92.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -62.46 -45.94 90.76 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.59 -39.98 95.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.472 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.16 -37.64 81.23 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.686 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.418 HD21 ' CG ' ' A' ' 994' ' ' TYR . 2.9 tt -64.76 -47.95 76.31 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.954 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -68.18 -40.46 82.26 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -54.53 -49.01 71.26 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.253 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -65.31 -43.63 90.42 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.391 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.56 76.14 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.023 0.439 . . . . 0.0 111.085 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.18 -22.1 65.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.832 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.5 m -79.51 -3.35 46.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.655 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.22 25.01 17.66 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -64.79 151.14 46.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.876 0.338 . . . . 0.0 110.317 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 91.6 p -109.47 -2.28 17.79 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.788 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -48.72 149.95 2.8 Favored Pre-proline 0 C--N 1.331 -0.22 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 17.8 Cg_endo -57.72 -36.9 98.24 Favored 'Trans proline' 0 C--N 1.31 -1.5 0 C-N-CA 121.396 1.398 . . . . 0.0 111.552 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -68.22 -30.98 70.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 71.6 m -68.66 -54.11 18.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.797 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -67.46 -37.59 83.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 6.7 mmp_? -62.91 -40.49 97.74 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . 0.418 ' CG ' HD21 ' A' ' 978' ' ' LEU . 44.0 t80 -62.34 -46.76 87.23 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -58.75 -41.19 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.0 96.54 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.885 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.535 ' NE1' ' OD2' ' A' ' 965' ' ' ASP . 51.1 t90 -55.83 -40.85 73.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.4 -40.43 97.18 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.08 -45.88 91.43 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.351 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.33 -40.18 96.59 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.33 0.586 . . . . 0.0 109.726 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -61.28 -45.82 92.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.19 -30.06 71.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.728 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -66.19 -43.0 88.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.432 ' C ' HD12 ' A' 1005 ' ' LEU . 9.0 ptm180 -90.45 120.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.276 0.56 . . . . 0.0 110.169 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' 1005 ' ' LEU . 10.5 mp -101.1 3.54 41.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.619 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 50.52 45.87 26.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 80.9 mmm -77.4 11.86 1.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.01 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -62.09 -28.86 69.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.472 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 33.9 pt -70.39 138.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.579 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -153.62 45.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.814 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.44 149.49 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.248 0.547 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -88.62 174.82 7.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.645 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 41.1 p-10 -62.29 -38.37 89.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.513 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 8.9 p-10 -72.5 -37.94 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.879 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -69.46 -40.86 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -61.95 -43.65 98.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.25 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -66.18 -39.81 89.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.216 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.625 ' CE2' HD11 ' A' ' 963' ' ' ILE . 26.7 t90 -65.58 -46.33 79.8 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-O 121.149 0.499 . . . . 0.0 110.121 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.483 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.4 mm-40 -63.97 -38.98 93.05 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.189 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -65.32 -36.71 84.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.188 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 959' ' ' TRP . 2.4 tt -68.98 -38.73 78.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.625 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -61.02 -43.8 96.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.858 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -63.07 -38.72 92.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.525 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -58.45 -44.92 89.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.865 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.517 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 43.7 m95 -76.8 -3.25 37.39 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.86 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 56.36 17.25 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.125 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -132.44 -141.9 0.21 Allowed 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 969' ' ' GLU . 1.9 pm0 -144.15 130.71 20.02 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.713 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.517 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 5.8 ptm -140.66 147.37 39.18 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.069 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.5 p -79.55 168.64 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.28 0.562 . . . . 0.0 111.92 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.5 -44.26 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.074 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -54.31 -40.52 68.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.543 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.3 -42.88 99.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -61.6 -45.03 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.576 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 979' ' ' LYS . 91.3 mt -62.59 -35.47 79.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -67.61 -35.84 79.71 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.13 -45.36 77.36 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.038 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 43.8 pttt -66.81 -44.34 81.44 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 85.3 tt0 -56.14 -50.78 70.17 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.313 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.85 -47.1 84.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.848 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.66 -49.25 73.96 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.795 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.43 -26.35 68.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.323 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 90.1 p -78.37 -0.84 30.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 92.07 27.42 16.19 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.129 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.2 142.05 57.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 45.0 m -97.26 -4.74 38.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.112 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -43.18 150.04 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.07 -32.69 91.98 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.577 1.518 . . . . 0.0 110.749 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -65.46 -42.07 92.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.929 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.3 t -63.4 -51.09 67.27 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . 0.547 ' C ' HE21 ' A' ' 992' ' ' GLN . 0.0 OUTLIER -67.93 -37.41 81.61 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.11 -179.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -63.35 -39.44 94.55 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . 0.489 ' CE2' HD11 ' A' ' 998' ' ' LEU . 50.8 t80 -61.61 -44.34 97.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.712 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -61.12 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.82 86.33 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.525 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 53.9 t90 -55.36 -41.3 72.36 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 994' ' ' TYR . 77.5 mt -63.51 -38.89 92.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.64 -43.09 99.68 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.955 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.29 -43.94 95.83 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1004 ' ' ARG . 53.2 ttt85 -62.45 -43.16 99.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.833 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -56.67 -34.02 66.96 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -73.09 -43.29 62.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.778 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.587 ' C ' HD12 ' A' 1005 ' ' LEU . 53.5 ptt85 -106.43 122.15 45.71 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.382 0.61 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' 1004 ' ' ARG . 10.1 mp -110.69 139.07 46.3 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.177 -179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.53 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -170.23 -36.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 63.7 mtt 45.59 42.51 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.986 0.422 . . . . 0.0 110.416 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -159.34 -90.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.357 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 951' ' ' LEU . 26.0 mm -99.17 128.9 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . -87.1 25.99 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.81 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.49 ' H ' HG22 ' A' ' 949' ' ' ILE . 6.7 mp 52.63 171.5 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 110.275 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -91.71 167.43 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.143 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.07 -40.16 92.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 18.1 p-10 -72.73 -43.56 62.8 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.462 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.6 -40.96 98.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.037 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -60.23 -44.2 95.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.56 -41.56 98.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.206 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 958' ' ' GLU . 0.2 OUTLIER -63.76 -37.67 88.23 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.47 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.4 t90 -63.73 -48.4 77.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.166 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.47 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 87.6 mm-40 -65.41 -38.38 89.76 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.651 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -66.2 -36.03 81.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -68.85 -38.99 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.423 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.0 mt -61.27 -42.6 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.393 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -58.38 -41.58 85.13 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.466 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 40.8 t0 -64.34 -44.34 91.76 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.634 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -75.33 -2.18 27.14 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 52.76 14.92 0.47 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -137.15 140.31 41.75 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.25 137.05 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 0.0 111.984 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 11.6 mtm -134.92 -177.14 4.49 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.996 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.458 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 43.2 p -118.76 160.51 21.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.423 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.417 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -52.98 -40.56 63.86 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.907 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -62.59 -43.34 99.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -62.08 -45.63 92.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.817 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.0 -39.03 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.296 0.569 . . . . 0.0 109.801 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.73 -39.27 84.27 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.841 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.82 -45.8 77.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.117 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 50.6 pttt -66.69 -43.32 84.73 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.412 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 50.3 tp10 -53.24 -50.67 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.596 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.14 -50.33 70.86 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.684 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . 0.413 ' HB1' HD21 ' A' ' 995' ' ' ASN . . . -59.82 -50.54 73.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.539 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.84 -23.38 66.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.806 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 16.9 t -78.69 3.01 17.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.315 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.14 25.41 24.34 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.92 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -70.39 145.67 50.95 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 117.274 0.537 . . . . 0.0 109.989 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 83.6 p -106.1 -3.46 21.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.372 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.17 150.22 0.4 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.908 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.3 Cg_endo -57.31 -30.83 89.08 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.767 1.645 . . . . 0.0 110.912 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.95 -26.41 61.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.048 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 992' ' ' GLN . 20.7 p -73.77 -53.62 9.88 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.637 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . 0.428 ' N ' ' OG ' ' A' ' 991' ' ' SER . 1.4 pt20 -64.97 -39.98 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 28.2 mmt180 -64.26 -41.48 96.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.922 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -63.34 -44.27 95.36 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . 0.42 ' N ' HD22 ' A' ' 995' ' ' ASN . 2.1 m120 -60.25 -41.32 92.96 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.72 -43.67 95.84 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.506 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.466 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 55.8 t90 -53.88 -41.28 67.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.247 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.5 -40.16 96.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.34 -48.94 77.61 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.24 -41.2 96.48 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -60.18 -43.02 96.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.332 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' 1005 ' ' LEU . . . -58.9 -35.57 73.27 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 51.5 mttp -74.22 -37.15 63.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.076 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' 1005 ' ' LEU . 32.1 mmt180 -61.79 -35.43 78.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.938 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' 1002 ' ' ALA . 7.4 mp 61.09 146.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.92 -179.606 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -79.55 -160.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 0.0 110.714 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 64.8 mtt -63.44 -40.88 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.19 0.519 . . . . 0.0 109.867 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . 50.53 -165.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 950' ' ' ALA . 34.7 pt -66.97 -26.34 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 949' ' ' ILE . . . 74.15 -24.06 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 949' ' ' ILE . 10.9 mp -78.96 146.72 33.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.125 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -72.36 171.56 11.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.61 -43.53 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.2 -42.07 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.67 -36.3 83.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.083 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.87 -45.74 89.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.13 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.2 -37.21 86.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.45 -45.56 92.53 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.473 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 23.7 t90 -66.13 -47.33 74.43 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.44 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.473 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 88.8 mm-40 -62.71 -40.26 96.59 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.341 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.31 -36.03 82.8 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.767 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.0 -36.9 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 959' ' ' TRP . 74.8 mt -61.99 -43.57 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -61.08 -41.21 96.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.663 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.03 -45.56 92.4 Favored 'General case' 0 CA--C 1.533 0.288 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.134 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 40.6 m95 -77.39 -3.41 40.04 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.328 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 54.32 19.48 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -145.97 146.31 30.97 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.847 0.356 . . . . 0.0 110.15 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -74.26 137.36 42.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.909 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.8 ptm -150.41 153.69 36.42 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.182 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.495 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 63.6 p -79.84 166.63 21.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 0.0 112.129 -178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -62.71 -43.72 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.379 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -51.93 -46.91 64.87 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.21 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.55 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -55.05 -45.17 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.35 -44.75 96.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 109.88 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 976' ' ' LEU . 4.9 tt -60.83 -42.46 97.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.277 0.561 . . . . 0.0 110.054 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.78 -35.98 81.62 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 119.863 -0.735 . . . . 0.0 109.256 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.96 -45.52 77.48 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.858 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -67.01 -42.58 84.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.51 -51.17 69.53 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.043 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.43 -47.84 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.632 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.3 -49.82 76.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.947 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.11 -22.53 66.4 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.346 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.7 t -78.83 -2.2 38.55 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.35 27.81 12.66 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.508 -0.377 . . . . 0.0 112.406 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.57 146.84 48.17 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.28 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 32.2 t -99.58 -2.37 35.85 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.45 148.97 0.4 Allowed Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.927 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.44 ' C ' ' HE ' ' A' ' 993' ' ' ARG . 22.8 Cg_endo -60.23 -30.13 90.53 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.007 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . 0.456 ' OD1' ' NH2' ' A' ' 993' ' ' ARG . 74.2 m-20 -71.68 -33.15 68.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.3 t -70.03 -50.61 39.62 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.206 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -42.06 96.11 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.63 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 990' ' ' ASP . 82.6 mtm180 -63.84 -37.76 88.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -61.99 -45.58 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.274 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . 0.606 ' N ' HD22 ' A' ' 995' ' ' ASN . 0.8 OUTLIER -61.94 -41.52 98.05 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.02 93.46 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -53.74 -41.23 66.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -63.49 -46.7 84.94 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.733 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.45 -40.73 92.2 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -59.03 -43.95 91.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.326 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.55 -32.55 74.24 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -69.04 -43.17 75.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.834 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' 1005 ' ' LEU . 8.1 ptm180 -88.71 124.61 34.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' 1004 ' ' ARG . 11.0 mp -109.22 128.66 55.23 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.99 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' 1005 ' ' LEU . 22.8 m . . . . . 0 C--O 1.221 -0.397 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.604 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 946' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 945' ' ' GLY . . . 44.31 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 87.4 mtp -77.2 14.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -43.74 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 39.5 pt -132.96 154.2 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -163.98 28.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.375 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 951' ' ' LEU . 10.5 mp -81.13 131.87 35.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.189 0.519 . . . . 0.0 110.703 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.05 173.1 6.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.364 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -58.66 -39.62 81.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.039 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -69.31 -39.87 78.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.2 -37.92 81.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.182 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.86 -43.76 90.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.063 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -63.28 -38.34 90.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.391 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.46 -44.15 91.97 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.455 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 24.7 t90 -62.76 -47.7 82.39 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.043 0.449 . . . . 0.0 110.201 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.455 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 92.7 mm-40 -64.55 -38.5 91.24 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.515 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.34 -38.73 91.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.52 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 959' ' ' TRP . 5.4 tt -68.47 -37.46 77.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.419 HD11 ' CE2' ' A' ' 959' ' ' TRP . 85.8 mt -61.44 -43.46 96.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -58.44 -42.09 86.57 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -63.11 -40.66 98.27 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -74.52 -3.16 29.17 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.9 mtp85 53.62 34.74 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.746 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 969' ' ' GLU . 10.7 ptmm? -153.39 -146.82 0.2 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . 0.501 ' O ' ' NZ ' ' A' ' 968' ' ' LYS . 16.2 tm-20 -141.39 137.32 32.21 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.0 OUTLIER -145.71 -171.93 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.732 179.049 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.516 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 73.0 p -117.96 163.46 16.54 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.03 0.443 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.8 t -59.7 -43.75 92.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.617 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -53.6 -44.01 69.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -60.02 -47.9 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.33 -44.16 95.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.91 -40.34 92.76 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.649 0.738 . . . . 0.0 109.932 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.33 -43.41 81.63 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.404 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.47 -48.22 78.6 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.771 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -65.89 -35.54 80.91 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.1 -54.66 40.29 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.161 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -65.23 -43.68 90.69 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.516 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.15 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.488 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.97 -22.41 65.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.4 p -78.23 -3.73 44.18 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.6 28.32 10.5 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.43 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.438 ' HB1' ' OD2' ' A' ' 988' ' ' ASP . . . -69.83 153.46 43.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.04 0.42 . . . . 0.0 110.056 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 86.6 p -107.23 0.95 23.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.422 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 991' ' ' SER . 2.2 p30 -50.02 148.8 5.48 Favored Pre-proline 0 C--N 1.332 -0.168 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -57.85 -33.24 96.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.66 1.573 . . . . 0.0 111.846 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.02 -35.83 80.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 5.4 t -68.1 -52.54 33.86 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.799 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.68 -41.03 92.91 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.189 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.37 -40.12 95.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 109.945 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -61.19 -44.78 96.75 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -61.46 -41.91 97.95 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.32 96.01 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.619 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -53.79 -42.17 68.06 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.94 -39.99 96.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.034 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.63 -45.45 92.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -73.37 -31.87 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.606 -0.837 . . . . 0.0 110.398 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.18 98.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.747 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' 1005 ' ' LEU . 59.7 pttt -80.23 -24.45 40.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.068 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.416 ' C ' HD12 ' A' 1005 ' ' LEU . 69.4 ttt180 -57.43 70.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.33 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1003 ' ' LYS . 10.5 mp -112.81 141.19 46.9 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.706 -179.747 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -71.26 109.6 5.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . 0.469 ' C ' ' H ' ' A' ' 949' ' ' ILE . 98.9 mtp -77.69 -6.34 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.822 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -72.99 32.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.469 ' H ' ' C ' ' A' ' 947' ' ' MET . 31.2 pt -63.27 -41.78 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 949' ' ' ILE . . . 38.63 36.61 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.226 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 5.2 mp 54.72 170.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.088 0.47 . . . . 0.0 110.059 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -70.9 165.35 23.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.89 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.46 -42.94 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.87 -43.95 86.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.203 0.525 . . . . 0.0 110.012 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.37 -37.66 80.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.83 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.05 -44.95 94.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.353 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 957' ' ' ASP . 67.4 t0 -63.69 -38.17 90.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -66.26 -42.88 87.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.429 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 22.5 t90 -63.85 -47.95 78.7 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.843 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.429 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.7 mm-40 -57.24 -39.56 75.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.433 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.85 -35.86 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.275 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.59 -37.64 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.41 -45.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.97 -39.59 90.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.317 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 57.9 t0 -61.76 -46.71 88.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.275 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 29.3 m95 -76.32 -4.53 42.6 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.864 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 54.34 15.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -145.99 152.6 39.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.13 138.31 47.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.142 0.496 . . . . 0.0 111.733 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.442 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.9 OUTLIER -137.87 -166.31 1.94 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 82.1 p -119.88 156.85 29.93 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.189 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.3 t -62.11 -42.62 95.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -48.63 -48.48 39.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.965 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.6 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -62.6 -47.8 82.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.081 0.467 . . . . 0.0 110.675 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.3 -40.67 97.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.291 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -68.63 -38.69 80.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.495 0.664 . . . . 0.0 109.517 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.51 -48.59 76.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.633 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -44.82 69.59 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.202 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -53.22 -52.7 58.06 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.92 -47.61 84.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.395 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.03 75.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 111.429 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.05 -24.77 67.83 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.233 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.96 -2.33 39.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.826 0.346 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 95.81 24.05 16.49 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.324 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.47 146.64 53.78 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.909 0.355 . . . . 0.0 110.282 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 88.4 p -104.31 -3.06 24.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.6 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -43.1 149.99 0.49 Allowed Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.49 -33.3 97.89 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.51 1.474 . . . . 0.0 110.805 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.81 -38.85 90.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.471 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.8 t -66.18 -51.31 59.0 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -64.36 -38.65 91.78 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.414 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -39.88 94.62 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.44 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -61.22 -41.02 96.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.367 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.74 89.4 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 61.0 t90 -53.79 -41.77 67.63 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -39.29 93.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.89 -49.79 76.45 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.47 -42.74 99.7 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -60.6 -44.89 95.76 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.256 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.18 -25.86 65.45 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.074 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' 1004 ' ' ARG . 0.0 OUTLIER -75.01 -38.77 61.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.622 -179.03 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.445 ' N ' ' HG3' ' A' 1003 ' ' LYS . 36.4 ptt180 -82.54 41.65 0.72 Allowed 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.23 -41.26 96.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.271 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.708 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -150.19 153.8 36.9 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 37.5 ttm -68.57 -9.49 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.148 0.499 . . . . 0.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 949' ' ' ILE . . . -60.24 -33.27 72.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.396 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 948' ' ' ALA . 38.3 pt -44.91 171.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.775 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -142.83 -2.72 1.03 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.4 mp -78.15 147.69 34.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.93 170.64 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.307 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -61.16 -41.6 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.13 -41.22 97.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.35 0.595 . . . . 0.0 109.429 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -68.79 -41.3 78.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.644 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.1 -45.19 95.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.902 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -64.37 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.832 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.25 -41.22 97.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.908 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.581 ' NE1' HD11 ' A' ' 963' ' ' ILE . 18.6 t90 -64.92 -49.51 70.14 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.451 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.451 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 95.0 mm-40 -62.94 -39.73 95.5 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.352 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.32 -37.93 89.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.312 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.6 tt -68.84 -38.08 78.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.581 HD11 ' NE1' ' A' ' 959' ' ' TRP . 68.8 mt -60.97 -43.63 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.409 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -60.88 -39.67 90.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.24 -43.74 95.84 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.309 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -75.77 -2.54 30.3 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.946 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 58.76 15.59 3.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.237 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.99 143.87 29.75 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.08 136.74 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.294 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 5.9 mtm -138.8 -179.75 6.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.813 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.9 p -118.85 164.52 15.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.69 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 20.7 t -64.02 -42.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.282 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -54.58 -48.53 72.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.1 mp0 -60.35 -41.24 93.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.077 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -41.8 89.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.743 0.783 . . . . 0.0 109.124 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.82 -42.17 95.19 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.25 -48.75 76.89 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.073 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' ' 983' ' ' LEU . 0.3 OUTLIER -66.08 -35.67 81.15 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.483 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -63.04 -53.94 45.88 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.595 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -60.92 -46.15 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.302 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.42 85.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 111.173 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 979' ' ' LYS . 1.7 mp -62.61 -26.6 68.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 14.5 m -78.02 -3.14 40.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.618 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 88.92 27.24 24.4 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.341 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.87 144.26 56.37 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.308 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.1 m -90.97 -8.85 48.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -40.66 148.94 0.34 Allowed Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.4 -30.99 92.09 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.065 1.843 . . . . 0.0 111.327 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -70.16 -31.51 69.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 6.7 t -71.17 -51.77 22.96 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.265 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.822 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -63.92 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.84 -45.02 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.061 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.83 -41.83 96.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.62 94.02 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.466 -0.493 . . . . 0.0 109.903 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 43.9 t90 -53.63 -41.85 67.16 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.82 -37.79 88.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.77 -40.65 97.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' 1003 ' ' LYS . 81.2 mt -61.08 -42.22 98.09 Favored 'General case' 0 N--CA 1.458 -0.057 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -65.22 -44.28 88.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.844 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -54.96 -35.13 63.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.687 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' 1000 ' ' LEU . 54.7 pttt -79.2 -33.86 43.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.264 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -60.25 -39.45 86.79 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.87 -42.03 99.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.223 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.17 179.625 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.473 ' C ' ' N ' ' A' ' 948' ' ' ALA . . . -164.79 -62.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 43.4 ttm 47.24 17.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.536 0.684 . . . . 0.0 109.719 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.473 ' N ' ' C ' ' A' ' 946' ' ' ALA . . . -65.15 -34.93 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.526 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 43.5 pt -79.81 141.46 15.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -84.7 -2.32 57.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.48 149.05 40.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.491 0.662 . . . . 0.0 110.948 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -83.13 171.06 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.253 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -57.82 -46.42 84.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.545 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -64.12 -42.29 96.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.85 -37.45 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.145 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.53 -44.58 89.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.118 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -63.91 -38.24 90.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.176 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -64.76 -41.69 95.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.536 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 28.5 t90 -65.48 -46.92 77.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.074 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.536 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 61.1 mm-40 -64.57 -38.04 89.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.157 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.16 -38.08 89.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.07 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -67.91 -37.78 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 959' ' ' TRP . 86.2 mt -59.9 -43.94 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -60.59 -41.25 94.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.71 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.532 ' OD2' ' CD1' ' A' ' 997' ' ' TRP . 44.6 t0 -61.6 -43.64 98.49 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.612 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.454 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.0 m95 -78.18 -3.55 43.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.432 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 53.52 14.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -139.1 147.14 41.57 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -76.59 137.74 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.158 0.504 . . . . 0.0 112.03 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 3.1 ptm -145.91 170.18 17.1 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.411 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.543 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.8 p -92.42 163.72 13.75 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.176 0.512 . . . . 0.0 111.824 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.79 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.623 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.34 -44.25 68.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.543 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 1.2 mp0 -60.02 -39.11 84.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -62.14 -44.43 96.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.153 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.07 -39.18 91.52 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -66.79 -36.5 82.54 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.791 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.44 -46.98 80.83 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 46.2 pttt -69.9 -45.77 66.87 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.514 -0.475 . . . . 0.0 109.867 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 80.4 tt0 -51.02 -51.67 50.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -62.29 -47.27 85.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.582 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.62 77.59 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.124 0.488 . . . . 0.0 111.591 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.79 -26.07 68.47 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.918 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.2 p -79.24 -1.23 35.52 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.335 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.5 26.1 16.5 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.294 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.5 141.99 56.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.419 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 67.9 m -98.98 -6.95 27.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.19 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -42.32 149.47 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -58.95 -31.31 95.33 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.751 1.634 . . . . 0.0 111.014 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -66.9 -38.4 86.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.205 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 4.9 t -69.28 -52.12 30.58 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.13 -38.69 92.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.829 -0.748 . . . . 0.0 109.344 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -64.22 -38.44 91.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.42 -45.52 93.98 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.85 -40.79 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.77 97.18 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.532 ' CD1' ' OD2' ' A' ' 965' ' ' ASP . 62.0 t90 -54.6 -41.44 69.95 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.33 -38.91 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.4 -43.89 96.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.437 ' HB3' HH12 ' A' 1004 ' ' ARG . 86.1 mt -61.21 -42.41 98.55 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' 1004 ' ' ARG . 61.8 ttt180 -60.85 -42.51 97.95 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.592 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.25 64.54 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.965 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 65.6 mttm -67.48 -42.34 83.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.853 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' 1001 ' ' ARG . 10.8 ptp85 -104.54 118.84 37.58 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.628 0.728 . . . . 0.0 111.804 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' 1005 ' ' LEU . 10.5 mp -94.33 133.99 37.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.464 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.766 179.743 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.07 138.66 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 97.7 mmm -64.74 -39.98 94.54 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.433 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -146.19 141.85 27.85 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.281 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 950' ' ' ALA . 22.3 pt -118.3 -34.57 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 949' ' ' ILE . . . 70.69 -46.97 0.64 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.184 0.516 . . . . 0.0 111.211 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.55 152.06 37.82 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.707 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.91 170.39 8.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -44.25 95.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -65.91 -41.83 90.95 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.47 -40.56 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.64 -42.84 97.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.294 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.37 -39.49 94.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.402 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.79 -40.1 91.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.634 ' CE2' HD11 ' A' ' 963' ' ' ILE . 28.4 t90 -65.97 -45.55 81.32 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.481 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 69.4 mm-40 -63.07 -40.01 96.42 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.509 -0.877 . . . . 0.0 110.12 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.68 -37.49 87.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.348 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 959' ' ' TRP . 3.3 tt -68.32 -37.53 78.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.634 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.0 mt -59.47 -43.95 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.226 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -62.29 -38.46 89.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.69 -42.8 93.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.588 ' CD1' ' SD ' ' A' ' 970' ' ' MET . 60.0 m95 -80.28 -1.06 39.21 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.348 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? 56.6 14.77 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.549 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -147.95 156.21 42.41 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -78.23 148.16 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.257 0.551 . . . . 0.0 112.224 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.588 ' SD ' ' CD1' ' A' ' 966' ' ' TRP . 4.8 ptm -153.77 156.76 38.34 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.602 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 31.8 p -81.72 163.54 22.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.246 0.546 . . . . 0.0 111.665 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 25.8 t -65.99 -43.32 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.934 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.51 -40.03 65.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.027 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -59.65 -41.17 89.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -60.62 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.039 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.13 -41.39 98.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.204 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -66.62 -40.57 88.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.108 0.48 . . . . 0.0 110.29 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.95 -45.96 83.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.078 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 7.8 pttp -69.96 -41.6 74.29 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 78.5 tt0 -54.8 -50.05 69.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.11 -44.17 93.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.45 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . 0.633 ' HB1' HD21 ' A' ' 995' ' ' ASN . . . -65.73 -41.85 91.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.8 mp -69.77 -24.53 63.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 33.1 t -78.79 -4.35 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.281 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 91.93 28.02 14.93 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.5 151.43 47.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.87 0.367 . . . . 0.0 110.809 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 0.38 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.95 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.66 148.89 4.76 Favored Pre-proline 0 C--N 1.331 -0.217 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.08 -34.82 98.92 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 121.622 1.548 . . . . 0.0 111.394 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.7 -28.01 63.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.814 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 3.3 t -71.02 -52.86 17.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.812 0.339 . . . . 0.0 111.419 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.34 -39.59 89.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.642 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -64.83 -39.86 94.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.887 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -62.28 -50.72 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . 0.633 HD21 ' HB1' ' A' ' 982' ' ' ALA . 1.4 m-80 -57.49 -40.67 79.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.02 75.66 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -56.82 -40.85 76.75 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.83 -40.11 95.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -62.52 -42.42 99.51 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.786 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 62.9 mt -60.21 -42.08 94.37 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -60.11 -43.14 95.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.464 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -57.64 -34.28 69.16 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' 1004 ' ' ARG . 99.7 mttt -70.23 -39.77 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' 1003 ' ' LYS . 98.4 mtt180 -49.83 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' 1004 ' ' ARG . 64.6 mt 35.27 33.08 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' 1004 ' ' ARG . 14.3 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.684 -1.15 . . . . 0.0 110.564 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 948' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.0 85.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.444 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 4.1 ptp -81.07 15.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.985 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 945' ' ' GLY . . . -46.18 -89.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.159 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 18.1 pt -128.27 142.44 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.172 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -94.05 -1.73 53.99 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.717 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 951' ' ' LEU . 11.2 mp -82.65 130.15 35.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -78.51 175.12 10.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.541 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -55.65 -42.35 74.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . 0.434 ' O ' ' OE2' ' A' ' 958' ' ' GLU . 47.1 t0 -64.19 -45.79 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.9 -38.69 91.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 110.749 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -58.25 -43.14 87.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.179 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.84 -40.3 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.745 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 954' ' ' ASP . 0.7 OUTLIER -66.02 -42.35 89.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.711 -179.499 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.423 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 19.4 t90 -63.73 -51.22 65.94 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.423 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 91.8 mm-40 -56.15 -40.05 73.23 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.094 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -64.32 -34.96 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 959' ' ' TRP . 1.8 tt -65.11 -40.52 89.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.27 -43.83 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -58.0 -40.93 81.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.615 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -63.43 -45.74 89.51 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.114 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.401 ' NE1' HG12 ' A' ' 962' ' ' ILE . 23.5 m95 -81.15 -5.13 57.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.106 -0.637 . . . . 0.0 110.94 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 50.96 21.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -141.33 149.13 40.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.78 0.324 . . . . 0.0 110.241 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.72 140.34 51.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.726 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 971' ' ' THR . 1.3 ppp? -147.1 -170.88 3.65 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.329 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 23.4 p -119.97 157.9 27.87 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 0.0 111.079 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.17 -42.59 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.437 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -50.46 -49.6 54.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.177 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -57.81 -41.65 82.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.445 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.81 -45.37 94.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.486 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.473 HD13 ' HD3' ' A' ' 979' ' ' LYS . 2.4 mm? -62.01 -39.41 92.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -65.68 -42.06 91.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.09 -48.59 75.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.148 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.473 ' HD3' HD13 ' A' ' 976' ' ' LEU . 17.9 ptmt -69.41 -40.79 77.09 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.15 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.55 -51.59 66.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.221 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -63.75 -47.74 79.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.753 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.71 66.54 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.408 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.78 -24.61 67.83 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.148 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 58.8 m -78.74 -3.74 45.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.705 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 97.94 27.29 9.0 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.464 -0.398 . . . . 0.0 112.27 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -71.77 153.58 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.104 0.452 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 19.2 m -111.7 -5.0 14.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.088 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -44.67 150.1 0.72 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.878 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -33.14 96.69 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.86 1.707 . . . . 0.0 111.525 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.17 -34.36 77.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.643 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.4 t -70.89 -51.91 23.35 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.838 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.52 -38.4 90.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.959 -0.697 . . . . 0.0 109.458 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.08 -38.11 89.69 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.3 -44.68 95.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.313 0.578 . . . . 0.0 109.93 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -60.24 -41.31 92.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.06 95.73 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.597 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -53.21 -41.37 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.98 -40.41 97.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.48 -42.71 99.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.834 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.89 -41.86 98.39 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 -61.05 -45.27 95.47 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.648 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.71 70.76 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -73.09 -32.73 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -58.62 -30.07 66.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.45 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.57 -42.8 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.194 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.442 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -143.16 91.19 2.25 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 93.9 mmm -63.38 -40.69 97.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . 51.26 96.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.535 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.846 ' N ' HD12 ' A' ' 949' ' ' ILE . 1.5 mp -112.56 131.05 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.181 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -46.33 -16.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.439 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 949' ' ' ILE . 11.2 mp -91.13 135.34 33.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.546 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -66.16 172.74 3.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.835 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -60.16 -44.5 94.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.205 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -66.82 -40.44 88.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 0.0 110.377 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.91 -40.35 94.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.072 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -60.01 -43.89 94.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.36 -39.74 95.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.105 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -65.61 -39.28 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.949 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.568 ' CZ3' ' NE2' ' A' ' 960' ' ' GLN . 30.1 t90 -62.09 -47.99 82.19 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.568 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 60.8 mm-40 -58.38 -38.91 78.26 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.852 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.9 -35.73 81.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.1 tp -67.18 -40.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.51 HD11 ' CZ2' ' A' ' 959' ' ' TRP . 44.2 mt -60.82 -43.48 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -57.2 -42.78 81.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 997' ' ' TRP . 17.7 t70 -61.8 -43.78 98.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.029 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.484 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 45.0 m95 -77.81 -3.06 39.52 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.067 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 49.92 20.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.536 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.01 153.36 41.4 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -76.1 130.55 38.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.315 0.578 . . . . 0.0 111.749 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.418 ' SD ' ' C ' ' A' ' 970' ' ' MET . 3.5 ppp? -145.82 154.85 42.46 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.944 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.479 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 65.6 p -83.13 167.31 17.91 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -177.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.5 -43.35 98.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.876 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.31 -46.33 72.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.375 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.56 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -52.74 -44.89 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.567 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -61.32 -43.6 98.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.82 -37.9 86.14 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 110.09 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.309 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 34.4 tp -62.57 -49.08 76.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.462 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 10.2 ptmm? -68.13 -43.99 77.09 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.02 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 81.2 tt0 -53.15 -49.62 66.23 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.302 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.01 -48.69 75.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.59 -50.55 72.16 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.587 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.03 -25.91 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.507 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 11.9 t -78.05 0.22 25.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.853 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 87.9 29.09 21.7 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.889 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.85 145.73 53.46 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.117 0.484 . . . . 0.0 110.999 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 -4.04 35.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.2 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.48 150.85 0.49 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.29 -29.99 87.14 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.925 1.75 . . . . 0.0 111.436 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.45 -28.71 61.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.498 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 7.0 t -70.8 -49.7 43.61 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.0 94.64 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.34 -37.07 85.85 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -59.88 -43.09 94.96 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.14 93.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.554 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.405 ' CD1' ' OD1' ' A' ' 965' ' ' ASP . 71.3 t90 -55.61 -41.53 73.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.57 -40.74 97.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.33 -43.43 96.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.56 -43.41 97.29 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.54 -42.9 88.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.31 68.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.31 -37.72 60.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.247 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -81.63 77.38 8.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' 1005 ' ' LEU . 10.2 mp -63.73 -41.28 98.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.019 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 19.1 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.453 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.91 141.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.281 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 16.2 ptm -62.01 -39.27 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.305 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -50.66 -62.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.345 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . . . . . . . . . 45.6 pt -143.27 153.69 16.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.834 0.349 . . . . 0.0 111.457 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -123.25 -2.37 8.57 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.58 152.44 35.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.252 0.549 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -86.57 175.02 8.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.993 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -56.46 -45.05 81.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.103 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -65.29 -45.53 84.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.97 0.414 . . . . 0.0 111.011 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -65.59 -38.46 89.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.256 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -60.94 -42.03 97.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -63.97 -34.93 79.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.235 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' A' ' 962' ' ' ILE . 12.8 tm-20 -66.2 -42.46 88.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.454 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.621 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.7 t90 -64.28 -48.31 76.17 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.419 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.5 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 93.5 mm-40 -63.66 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.586 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.04 -39.74 95.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.497 ' CD1' ' CE3' ' A' ' 997' ' ' TRP . 1.0 OUTLIER -68.09 -38.08 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 959' ' ' TRP . 84.5 mt -59.5 -44.19 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.553 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.02 -42.07 93.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.15 -46.52 90.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.522 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 28.6 m95 -76.71 -3.24 37.01 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.398 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 53.49 17.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.355 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -141.1 151.05 43.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.12 132.23 35.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.264 0.554 . . . . 0.0 112.394 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 8.9 ptm -138.03 144.95 41.27 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.552 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.7 p -77.6 166.5 22.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.706 0.765 . . . . 0.0 112.102 -178.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 19.6 t -62.97 -42.45 96.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.747 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -55.25 -41.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.974 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.2 OUTLIER -61.39 -37.73 84.46 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.26 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 976' ' ' LEU . 4.1 mm? -62.27 -42.56 99.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.025 0.44 . . . . 0.0 109.84 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 977' ' ' ASP . 67.0 t0 -67.85 -39.43 83.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.279 0.562 . . . . 0.0 110.449 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.07 -44.78 87.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.893 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' A' ' 980' ' ' GLU . 8.0 pttp -69.23 -44.79 71.31 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 84.8 tt0 -51.0 -51.48 52.57 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.753 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -64.24 -45.56 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.519 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -62.31 -51.95 65.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.59 -23.83 67.39 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.024 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 2.4 t -79.03 -1.62 36.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 93.19 25.43 19.32 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.936 -0.465 . . . . 0.0 111.936 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -66.14 146.51 54.56 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 111.299 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 100.0 p -109.19 2.07 20.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.157 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.71 150.51 2.5 Favored Pre-proline 0 C--N 1.333 -0.128 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -56.39 -41.07 80.1 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 121.187 1.258 . . . . 0.0 111.327 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.271 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 50.6 m -65.4 -50.67 64.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.97 -35.87 81.75 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.982 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.43 -39.55 94.04 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -61.71 -46.89 87.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.123 178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -42.18 91.78 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.4 96.51 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.392 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.497 ' CE3' ' CD1' ' A' ' 962' ' ' ILE . 73.4 t90 -53.09 -40.71 64.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.85 -40.68 98.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.07 -46.18 82.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.716 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.12 -42.5 94.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -60.02 -43.17 95.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.764 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.41 72.57 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.183 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -74.14 -35.43 64.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.294 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 75.9 mmt-85 -60.4 -34.98 74.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.443 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.12 -42.15 98.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.503 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.597 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -165.7 171.33 13.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 111.323 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 8.0 ttt -62.67 -37.41 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . . . . . . . . . . . -52.81 145.82 11.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.467 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.64 HD13 ' H ' ' A' ' 949' ' ' ILE . 0.0 OUTLIER -91.12 16.14 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 -179.453 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 949' ' ' ILE . . . 69.15 -45.03 0.55 Allowed 'General case' 0 CA--C 1.518 -0.252 0 O-C-N 123.516 0.51 . . . . 0.0 111.702 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.542 HD11 HD23 ' A' ' 976' ' ' LEU . 11.2 mp -86.09 133.87 33.86 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.121 0.486 . . . . 0.0 110.572 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.84 175.81 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.711 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.59 -44.14 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.155 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -43.15 95.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.756 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -66.88 -39.47 87.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.07 -41.52 75.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.376 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -63.24 -40.7 98.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.311 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.33 -35.91 81.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.684 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.547 ' CE2' HD11 ' A' ' 963' ' ' ILE . 32.7 t90 -65.83 -44.1 86.59 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.526 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 78.3 mm-40 -65.6 -38.03 88.3 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.823 178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -66.22 -37.16 84.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 966' ' ' TRP . 1.2 tp -68.49 -37.18 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.547 HD11 ' CE2' ' A' ' 959' ' ' TRP . 75.3 mt -59.44 -44.95 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -60.84 -40.45 92.9 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.1 -46.64 82.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.384 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . 0.501 ' CD1' ' O ' ' A' ' 962' ' ' ILE . 21.0 m95 -82.46 -4.49 57.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 49.88 20.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.439 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -137.7 151.79 48.6 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -77.42 144.0 38.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 111.209 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 971' ' ' THR . 0.7 OUTLIER -152.03 162.48 41.03 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.281 179.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 80.4 p -86.85 161.47 18.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.138 0.494 . . . . 0.0 111.658 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.67 -42.9 93.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.644 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.07 -44.59 79.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.186 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 971' ' ' THR . 0.4 OUTLIER -58.87 -42.41 89.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.5 -44.46 96.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.161 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.542 HD23 HD11 ' A' ' 951' ' ' LEU . 0.1 OUTLIER -60.86 -38.98 87.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.69 0.757 . . . . 0.0 109.062 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.11 -41.14 97.37 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.126 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.42 -47.21 82.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.233 -0.439 . . . . 0.0 112.097 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.461 ' HD3' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -69.41 -41.67 76.07 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.956 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.33 -46.89 73.0 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.509 -0.876 . . . . 0.0 109.141 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 986' ' ' ALA . 81.5 mtp180 -64.32 -47.48 79.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.586 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.81 -48.4 76.98 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 111.68 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -25.93 67.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 23.0 t -79.0 -1.1 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 89.13 29.02 18.81 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 981' ' ' ARG . . . -64.17 151.33 43.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 9.8 t -109.31 -9.85 14.96 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.804 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 991' ' ' SER . 1.5 p30 -50.13 148.87 5.6 Favored Pre-proline 0 N--CA 1.463 0.184 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.432 ' O ' ' CG ' ' A' ' 993' ' ' ARG . 18.7 Cg_endo -57.17 -33.03 95.14 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.865 1.71 . . . . 0.0 112.152 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -65.5 -35.84 82.07 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . 0.52 ' N ' ' OD1' ' A' ' 988' ' ' ASP . 20.7 m -70.98 -53.34 15.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.235 -178.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.25 -38.47 91.29 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.427 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 989' ' ' PRO . 22.0 mmt85 -62.56 -41.5 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.86 -47.06 88.12 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.53 -40.73 79.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.19 94.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.911 178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 53.8 t90 -54.33 -41.83 69.48 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.41 -40.89 98.43 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -61.77 -44.9 95.97 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.331 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.76 -42.26 98.75 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -59.55 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.19 -30.77 69.58 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.928 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -68.69 -39.55 80.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.045 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -51.51 -11.74 0.14 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.34 -42.89 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.295 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.496 179.393 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 946' ' ' ALA . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' A' ' 948' ' ' ALA . . . 46.0 -174.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 0.0 110.6 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 21.5 ttt 66.79 -34.11 0.21 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.539 ' H ' ' C ' ' A' ' 946' ' ' ALA . . . -96.16 91.58 5.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 110.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.665 HD13 ' H ' ' A' ' 949' ' ' ILE . 0.0 OUTLIER -71.31 -31.76 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.295 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 951' ' ' LEU . . . 46.23 19.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.543 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 950' ' ' ALA . 10.3 mp 56.24 152.29 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 110.867 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . 0.402 ' H ' ' HB2' ' A' ' 955' ' ' GLU . 80.4 mtp85 -96.66 174.42 6.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.562 179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.63 -46.12 87.76 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.548 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.89 -42.71 97.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.443 . . . . 0.0 110.177 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' A' ' 952' ' ' ARG . 13.0 mm-40 -68.05 -37.05 80.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.657 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.2 -42.89 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.549 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.24 -36.98 85.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.894 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.1 -41.16 95.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.361 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.612 ' CE2' HD11 ' A' ' 963' ' ' ILE . 27.5 t90 -65.21 -46.45 80.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.504 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 85.0 mm-40 -64.2 -36.26 83.48 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.882 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.01 -38.37 90.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 962' ' ' ILE . 2.9 tt -68.86 -38.16 78.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 959' ' ' TRP . 89.1 mt -61.33 -43.36 96.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -60.69 -40.64 92.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.287 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.09 -46.04 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -78.25 -3.49 43.08 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.347 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 50.84 24.21 1.69 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.15 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.86 -137.32 0.16 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -145.09 143.72 30.56 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.411 0.624 . . . . 0.0 111.588 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -160.08 158.37 30.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.739 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 974' ' ' GLN . 76.4 p -86.02 165.9 16.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.482 0.658 . . . . 0.0 112.535 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 24.0 t -64.68 -43.32 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.859 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -53.25 -40.49 64.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.247 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.558 ' OE1' ' N ' ' A' ' 974' ' ' GLN . 0.1 OUTLIER -60.35 -41.66 94.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.78 -44.29 97.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.336 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -60.39 -40.95 92.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.34 -42.48 92.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.973 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.28 -46.69 82.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.356 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . 0.423 ' HD3' HD22 ' A' ' 976' ' ' LEU . 17.3 ptmt -69.67 -42.14 74.55 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.025 0.44 . . . . 0.0 110.158 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 979' ' ' LYS . 44.5 tt0 -57.05 -50.99 71.06 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.339 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -63.65 -47.78 79.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.297 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.85 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.621 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.9 -21.41 66.0 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.008 -179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 28.0 t -79.1 -2.3 39.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.428 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 94.21 25.84 15.59 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -68.72 147.11 52.3 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.0 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 89.4 p -102.94 -1.37 29.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.039 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -46.89 150.32 1.34 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.804 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -60.36 -29.75 89.5 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 121.909 1.74 . . . . 0.0 111.223 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -71.21 -32.07 68.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 5.6 t -69.84 -51.1 36.37 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.274 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -42.85 94.26 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.29 -38.29 90.56 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -60.73 -43.54 97.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -60.37 -41.15 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.27 96.51 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.799 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -54.25 -42.17 69.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.07 -39.5 94.91 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.96 -42.43 97.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.327 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.39 -42.13 95.27 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -61.85 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.633 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -57.34 -34.0 68.33 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 65.6 mttm -72.12 -40.71 67.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -62.69 -40.93 98.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.13 -42.09 99.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.46 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.508 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -87.25 -2.31 58.53 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 120.946 0.403 . . . . 0.0 110.363 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' MET . . . . . . . . . . . . . 52.6 mmm -61.24 -32.01 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.403 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 949' ' ' ILE . . . -63.15 134.97 56.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.366 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' ILE . . . . . 0.493 ' O ' ' O ' ' A' ' 948' ' ' ALA . 43.6 pt 34.98 -162.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.219 0.533 . . . . 0.0 112.002 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 950' ' ' ALA . . . . . . . . . . . . . . . -168.59 3.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.704 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 951' ' ' LEU . 10.2 mp -94.02 133.46 37.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.193 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 952' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.38 173.49 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 953' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 954' ' ' ASP . 1.6 p30 -58.02 -42.53 85.47 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.834 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 954' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 953' ' ' ASP . 38.1 t70 -65.64 -39.92 91.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.258 0.551 . . . . 0.0 109.988 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.43 -38.1 80.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -58.9 -44.05 91.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.052 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -62.45 -39.71 94.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.36 -39.2 92.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 963' ' ' ILE . 21.1 t90 -64.24 -48.95 73.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.64 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' GLN . . . . . 0.412 ' NE2' ' CZ3' ' A' ' 959' ' ' TRP . 82.7 mm-40 -61.96 -36.67 82.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.246 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -65.95 -37.59 86.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.576 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' ILE . . . . . 0.489 HD13 ' CE3' ' A' ' 997' ' ' TRP . 4.0 tp -70.43 -37.96 72.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.035 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.649 HD11 ' CE2' ' A' ' 959' ' ' TRP . 80.5 mt -61.16 -42.85 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.19 -41.0 92.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.288 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.16 -42.45 94.95 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.241 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -74.54 -1.91 23.5 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.255 0.55 . . . . 0.0 110.143 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 55.87 26.82 10.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.179 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -147.3 -152.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.84 136.25 54.26 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.762 0.315 . . . . 0.0 111.216 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' MET . . . . . . . . . . . . . 6.5 mtm -136.89 -173.07 3.34 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.179 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' THR . . . . . 0.454 ' OG1' ' OE1' ' A' ' 974' ' ' GLN . 43.0 p -118.83 159.16 24.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.86 -43.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -52.79 -49.05 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.075 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.678 ' N ' ' NE2' ' A' ' 974' ' ' GLN . 0.0 OUTLIER -57.42 -45.47 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.49 -44.65 96.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.76 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 976' ' ' LEU . 0.2 OUTLIER -59.04 -43.24 91.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.58 -179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 977' ' ' ASP . 65.3 t0 -66.49 -35.3 79.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.11 0.481 . . . . 0.0 110.21 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 33.9 tp -64.55 -46.47 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.063 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -70.62 -41.85 71.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.92 -47.72 74.02 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.084 -0.646 . . . . 0.0 109.399 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -64.95 -45.14 87.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.94 67.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 111.276 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.76 -22.29 66.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.641 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 27.0 t -79.58 -1.98 40.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' GLY . . . . . . . . . . . . . . . 90.19 28.57 17.18 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -67.44 147.98 52.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 111.022 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' SER . . . . . . . . . . . . . 58.4 m -103.7 -5.59 22.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.746 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -45.98 148.19 1.51 Allowed Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.21 -32.96 97.94 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.764 1.642 . . . . 0.0 111.343 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -73.46 -27.76 61.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.163 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' SER . . . . . . . . . . . . . 36.9 m -71.69 -50.49 29.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -39.57 88.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -62.58 -41.78 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.042 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -62.09 -44.46 96.62 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.59 -42.33 87.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.614 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' TRP . . . . . 0.489 ' CE3' HD13 ' A' ' 962' ' ' ILE . 68.3 t90 -53.29 -41.34 65.49 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.94 -40.05 95.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.3 -47.66 83.29 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.89 -40.17 94.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -60.29 -47.62 85.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.275 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -66.43 -28.88 68.95 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.088 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -69.87 -45.45 67.68 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.01 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.17 -36.32 79.44 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.76 -33.41 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 109.987 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.288 179.885 . . . . . . . . 0 0 . 1 stop_ save_