data_6okw_residue ############################ # Computer software used # ############################ 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 6okw _Structure_validation_residue.Date_analyzed 2020-02-21 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 ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.018 0.437 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.46 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.144 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.14 -39.02 84.89 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.079 0.466 . . . . 0.0 110.566 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.63 -37.9 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -71.98 -41.78 67.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.542 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 43.4 mm-40 -66.14 -21.21 66.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.067 0.46 . . . . 0.0 110.983 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.11 91.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -78.09 -33.83 50.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.221 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HD3' ' OE1' ' A' ' 39' ' ' GLU . 5.8 ttp-105 -56.27 -49.62 73.7 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.96 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 18.4 pttm -73.89 -19.81 60.59 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.082 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.61 87.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.813 0.339 . . . . 0.0 110.14 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -86.7 -16.14 37.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.174 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 41.0 tt0 -85.3 -58.06 2.83 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.307 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.536 -179.745 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -57.06 -34.73 68.54 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.11 -48.21 68.84 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.65 -49.55 62.33 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -62.82 -30.44 71.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 0.0 109.801 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.53 -32.77 60.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.722 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.71 -48.55 74.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.547 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 20.5 ptt180 -78.13 -35.95 48.46 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.443 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.6 -44.74 89.97 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.701 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -30.74 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.384 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.5 tp -74.87 -54.12 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 2.8 mm-40 -60.2 -37.27 79.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.432 0.634 . . . . 0.0 109.98 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.471 0.581 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.233 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -72.67 -39.66 66.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.91 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.19 -58.08 9.13 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -68.38 -29.89 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -59.68 -47.22 86.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.7 mt-10 -81.0 -46.41 15.1 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.232 177.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.12 -56.85 4.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.37 -40.42 94.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -88.36 -38.05 15.43 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 14.0 tptm -55.29 -56.53 18.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.43 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.72 50.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.549 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.1 -48.62 9.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.744 0.307 . . . . 0.0 111.677 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.27 -43.87 66.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--N 1.323 -0.55 0 C-N-CA 119.908 -0.717 . . . . 0.0 112.335 -174.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.926 0.393 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.46 -47.32 86.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.551 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.56 -29.65 70.15 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.764 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.58 -46.18 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.185 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.17 -39.76 93.37 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.05 -44.27 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.84 75.27 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.1 0.476 . . . . 0.0 110.25 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.98 -42.8 94.22 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.942 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.18 -48.28 82.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.883 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HG2' ' OD2' ' A' ' 47' ' ' ASP . 52.5 tttm -53.87 -52.25 61.07 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.821 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.71 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.517 0.511 . . . . 0.0 111.748 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.15 -41.89 66.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.77 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -76.34 -29.46 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.384 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' HG2' ' A' ' 43' ' ' LYS . 7.9 m-20 . . . . . 0 CA--C 1.503 -0.855 0 O-C-N 123.634 0.584 . . . . 0.0 109.963 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.651 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 21.5 t70 . . . . . 0 N--CA 1.468 0.428 0 CA-C-O 121.106 0.479 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.89 -24.04 67.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.251 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.15 -56.63 17.74 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.972 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -67.92 -43.57 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 110.646 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 34' ' ' ASP . 4.4 mptp? -59.73 -47.89 83.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.843 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.81 -35.08 72.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.98 71.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -27.88 60.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.133 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -69.07 -50.64 46.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.706 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.27 -26.17 64.63 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.162 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.55 87.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.17 -34.73 73.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -71.05 -47.46 58.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.645 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -176.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 121.045 0.45 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -67.27 -35.12 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.718 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.58 -53.21 40.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.757 176.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.19 -38.05 87.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.63 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -66.37 -47.96 71.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.875 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 42' ' ' ARG . 6.0 tp10 -72.93 -46.31 53.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.805 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.66 -39.53 65.14 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -87.71 -34.03 18.53 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.198 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 39' ' ' GLU . 31.0 ttp180 -63.65 -46.06 87.34 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.668 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.99 -50.31 73.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.175 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.05 79.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.005 0.431 . . . . 0.0 111.458 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.88 -35.71 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -86.54 -29.43 22.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.518 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.471 0.575 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 -178.453 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -75.43 -43.29 50.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.211 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.95 -55.48 26.66 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.768 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -56.57 -44.34 80.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.69 -36.34 78.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.74 -40.73 47.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -28.61 67.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 37.9 tt0 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.088 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.81 -33.12 72.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.798 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.78 -54.97 22.86 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.684 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.334 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 74.9 mt -71.2 -44.88 64.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.707 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.27 -35.71 68.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.314 -0.968 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.199 -178.563 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.709 0.29 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.56 -47.25 76.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.78 -45.34 82.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.123 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.2 tptt -62.41 -50.27 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.343 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.09 -37.82 88.83 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.447 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 42' ' ' ARG . 9.6 tp10 -68.0 -45.48 73.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.3 89.35 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 36.7 mm-40 -59.54 -35.24 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 110.488 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.417 HH21 ' CD ' ' A' ' 39' ' ' GLU . 29.9 ttp180 -71.56 -48.19 50.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.548 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -62.5 -34.78 77.54 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.046 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.67 94.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.101 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.1 -41.62 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.932 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.52 -36.07 76.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.902 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--N 1.313 -0.983 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.4 178.847 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.36 0.6 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 11.5 t-160 -72.73 -21.34 61.04 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.644 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.22 -53.31 58.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.758 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.44 -37.18 44.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.27 -39.77 94.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.335 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 tp10 -76.79 -41.49 44.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.065 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.49 83.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.006 0.432 . . . . 0.0 110.144 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -65.71 -48.79 70.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.644 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -62.04 -46.99 86.73 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 111.231 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -63.23 -41.72 99.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.986 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.75 68.24 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -89.78 -16.52 30.06 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 120.916 0.389 . . . . 0.0 111.278 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -86.61 -47.25 9.36 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.566 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.109 0.48 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 79.4 t60 -60.59 -39.64 88.85 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.574 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.66 -52.38 40.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.916 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.1 tttt -49.8 -49.89 47.0 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -72.63 -19.71 61.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.973 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 45.6 mm-40 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.915 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 43' ' ' LYS . . . -64.19 -46.35 84.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.536 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 10.5 pt-20 -71.75 -35.3 70.07 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.688 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttp-105 -77.24 -22.81 51.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 52.6 tttm -50.96 -48.55 61.01 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.755 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.777 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -77.2 -26.79 53.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.603 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -94.03 -5.3 47.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.652 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.318 -0.804 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.058 -177.172 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 28' ' ' LEU . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -62.9 -21.82 66.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.571 0.348 . . . . 0.0 111.098 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.32 -44.82 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.607 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 51.71 53.62 12.38 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.595 0.358 . . . . 0.0 111.244 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.94 -68.15 0.23 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-O 121.104 0.478 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 pp -132.12 4.95 4.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -102.04 27.54 6.51 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.193 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -56.74 -37.19 70.66 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.9 0.381 . . . . 0.0 110.36 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 7.7 p-10 -63.22 -33.47 75.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.266 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.684 ' OE2' ' HD2' ' A' ' 14' ' ' ARG . 6.7 tp10 -63.53 -35.16 79.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.5 mt -60.36 -54.56 44.18 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.233 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 34.3 mt-30 -66.01 -21.69 66.41 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.322 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.684 ' HD2' ' OE2' ' A' ' 11' ' ' GLU . 45.2 ttm180 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.252 0.549 . . . . 0.0 109.567 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.44 -31.89 62.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 56.8 tttp -56.67 -39.93 74.64 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.037 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 14' ' ' ARG . 2.5 p-10 -88.2 60.06 5.57 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.861 0.838 . . . . 0.0 109.924 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.61 -23.63 59.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.835 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -73.21 1.71 8.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.784 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -162.1 21.97 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.864 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 6.8 pt-20 -73.34 -45.8 53.08 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 11.3 pt-20 -64.93 -20.82 66.66 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.597 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -84.2 -47.52 10.74 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 42' ' ' ARG . 52.7 tt0 -69.85 -46.67 65.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.6 tp -58.43 -53.05 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.621 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.07 -41.17 82.79 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.345 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 74.9 mtp180 -59.8 -50.65 72.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 110.731 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 1' ' ' GLY . 57.3 mt -60.45 -29.29 68.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.385 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 57.4 mtpt -62.13 -44.52 96.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.124 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -87.73 -38.69 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.705 0.288 . . . . 0.0 111.479 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -76.5 152.48 36.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -39.46 150.48 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -65.1 -32.71 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.903 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.73 -25.24 67.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.46 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.144 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.14 -39.02 84.89 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.079 0.466 . . . . 0.0 110.566 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.63 -37.9 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -71.98 -41.78 67.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.542 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 43.4 mm-40 -66.14 -21.21 66.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.067 0.46 . . . . 0.0 110.983 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.11 91.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -78.09 -33.83 50.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.221 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' A' ' 24' ' ' GLU . 5.8 ttp-105 -56.27 -49.62 73.7 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.96 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 18.4 pttm -73.89 -19.81 60.59 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.082 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.61 87.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.813 0.339 . . . . 0.0 110.14 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -86.7 -16.14 37.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.174 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 41.0 tt0 -85.3 -58.06 2.83 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.307 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.569 ' OD2' ' HG3' ' A' ' 48' ' ' LYS . 13.5 t70 -66.48 -45.86 78.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.536 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.569 ' HG3' ' OD2' ' A' ' 47' ' ' ASP . 36.5 mtmm -131.04 -174.99 3.54 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.88 -52.37 65.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.57 156.98 8.38 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.088 0.471 . . . . 0.0 111.517 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.78 95.18 4.81 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 C--N 1.309 -1.173 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.675 -178.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.058 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -77.76 89.57 4.01 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.722 0.296 . . . . 0.0 110.543 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.06 -50.47 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.427 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -150.19 -91.14 0.07 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 46.93 37.73 5.3 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 71.6 mt 77.65 -9.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.44 0.696 . . . . 0.0 112.307 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.1 m 75.76 -53.7 0.63 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.298 1.039 . . . . 0.0 112.173 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.6 -47.13 12.46 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.769 0.795 . . . . 0.0 110.522 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 39.4 m-20 -72.73 -20.75 61.15 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.54 -28.68 69.5 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.358 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.46 -41.3 89.25 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 4.8 mp -61.43 -45.95 92.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.84 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.595 ' OE1' ' HG ' ' A' ' 49' ' ' LEU . 14.3 mm100 -66.35 -17.74 64.95 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.212 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 41.4 ttm180 -78.27 -25.62 46.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.167 0.508 . . . . 0.0 110.19 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.11 -42.3 72.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.504 0.668 . . . . 0.0 109.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -87.64 -12.62 44.99 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.399 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 14' ' ' ARG . 40.6 t30 -54.26 122.83 11.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.112 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.46 4.73 26.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.434 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 74.91 44.1 0.2 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.413 1.085 . . . . 0.0 110.814 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -130.38 29.24 4.88 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.128 -0.357 . . . . 0.0 111.216 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.9 -44.27 96.55 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.014 0.435 . . . . 0.0 110.17 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.57 -41.78 90.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.884 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.91 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.77 -47.94 81.08 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.022 0.439 . . . . 0.0 110.176 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.13 -40.92 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.69 -48.86 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.749 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.74 -39.41 94.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.72 -40.11 82.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.849 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HZ1' ' HB2' ' A' ' 29' ' ' LYS . 4.2 ttmp? -80.25 -33.79 37.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.834 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.1 m -61.74 -48.1 82.23 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.936 0.398 . . . . 0.0 110.686 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 10.5 mm-40 -70.76 145.33 50.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.741 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -87.65 -92.58 0.1 Allowed 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.035 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -65.56 -20.58 66.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 31' ' ' GLU . 6.1 m-20 -68.32 -15.84 63.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.545 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -57.06 -34.73 68.54 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.11 -48.21 68.84 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.65 -49.55 62.33 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -62.82 -30.44 71.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 0.0 109.801 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.53 -32.77 60.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.722 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.71 -48.55 74.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.547 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 20.5 ptt180 -78.13 -35.95 48.46 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.443 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.6 -44.74 89.97 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.701 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -30.74 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.384 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.5 tp -74.87 -54.12 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 2.8 mm-40 -60.2 -37.27 79.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.432 0.634 . . . . 0.0 109.98 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.48 -42.88 93.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.233 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.53 -25.49 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.52 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.595 ' HG ' ' OE1' ' A' ' 13' ' ' GLN . 4.6 mm? -73.49 -35.17 65.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.975 0.417 . . . . 0.0 109.99 176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.57 75.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.091 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -157.06 122.34 4.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.554 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 C--N 1.314 -0.939 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.014 178.764 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -118.7 -72.4 0.69 Allowed 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.366 -0.49 . . . . 0.0 110.815 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -98.2 -3.24 9.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.405 0.621 . . . . 0.0 110.618 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -79.31 21.96 0.45 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.617 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -97.11 32.64 2.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.695 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.5 tp 67.46 33.09 5.39 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.861 0.839 . . . . 0.0 108.8 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 p -113.84 46.58 1.29 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.873 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.59 -21.42 38.89 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.31 -29.3 70.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.291 0.567 . . . . 0.0 110.337 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 -32.88 64.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.676 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG2' ' NH2' ' A' ' 14' ' ' ARG . 49.9 mt-10 -66.84 -30.86 71.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.89 -43.73 87.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.458 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -76.19 -16.74 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.915 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.602 ' NH2' ' HG2' ' A' ' 11' ' ' GLU . 23.3 ttm180 -71.86 -45.55 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.4 tp -73.64 -32.43 64.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.339 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -76.64 -21.38 55.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.742 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.17 39.14 0.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.099 1.359 . . . . 0.0 114.193 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.54 ' HG3' ' H ' ' A' ' 19' ' ' ARG . 10.8 pt-20 -68.49 -66.73 0.53 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' H ' ' HG3' ' A' ' 18' ' ' GLU . 99.4 mtt180 -110.22 3.39 19.99 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 54.75 44.36 28.63 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -51.93 -30.79 25.9 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -1.08 . . . . 0.0 112.202 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.13 -37.09 83.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.64 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.07 74.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.551 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.86 -28.08 65.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -71.4 -43.36 66.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.53 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.43 -22.05 53.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.0 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -58.16 -31.64 67.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.276 0.56 . . . . 0.0 109.569 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mp -72.83 -39.35 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.375 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -54.46 -47.68 72.64 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.935 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 p -65.47 -26.02 67.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.243 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.34 -64.61 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -163.55 122.63 2.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.467 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -59.25 -31.97 69.57 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.751 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.62 -46.79 83.67 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -72.67 -39.66 66.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.91 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.19 -58.08 9.13 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -68.38 -29.89 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -59.68 -47.22 86.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.7 mt-10 -81.0 -46.41 15.1 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.232 177.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.12 -56.85 4.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.37 -40.42 94.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -88.36 -38.05 15.43 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 14.0 tptm -55.29 -56.53 18.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.43 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . . . -80.73 -17.72 50.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.549 -175.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.1 -48.62 9.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.744 0.307 . . . . 0.0 111.677 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.27 -43.87 66.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -140.74 10.3 2.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.908 -0.717 . . . . 0.0 112.335 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 42.0 mmtm 66.88 -57.61 0.41 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 122.221 -0.299 . . . . 0.0 111.68 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.25 -52.91 3.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.3 24.15 13.6 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.523 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -97.82 132.16 43.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.314 -0.944 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.036 -179.433 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.829 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -105.3 169.28 8.54 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.72 101.28 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 70.33 79.29 0.18 Allowed 'General case' 0 C--N 1.369 1.427 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.498 ' HB2' ' OD1' ' A' ' 9' ' ' ASP . 71.5 mttt -61.44 -77.9 0.04 OUTLIER 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 7' ' ' THR . 7.9 mp -118.39 18.99 13.53 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.657 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 6' ' ' LEU . 86.2 m 76.18 -44.37 0.49 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.423 0.689 . . . . 0.0 111.772 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -72.04 -46.73 55.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.484 0.659 . . . . 0.0 109.486 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 4.4 p30 -74.04 -21.8 59.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.371 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -61.59 -49.53 76.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.672 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 34.5 tt0 -62.19 -44.1 97.35 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.1 mp -56.23 -47.49 78.37 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.763 178.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 29.8 mm-40 -62.07 -38.71 89.85 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.408 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 78.2 mtp180 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 110.324 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.5 mt -73.97 -40.01 63.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.712 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -60.03 -29.58 68.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.781 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 72.37 7.06 5.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.416 0.686 . . . . 0.0 110.679 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -103.76 39.38 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.005 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -71.6 3.18 4.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.601 0.715 . . . . 0.0 110.329 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.47 -18.6 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.947 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -56.27 -33.73 65.77 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.266 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -41.66 97.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.143 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.29 -27.3 65.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.35 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.99 -35.16 69.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.54 -25.47 64.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.145 0.498 . . . . 0.0 109.893 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -66.66 -33.86 76.57 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.59 -17.63 64.73 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.179 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 tp -48.47 -26.85 2.33 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.31 -39.88 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.861 178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.62 -38.67 47.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 0.0 110.156 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.18 -165.89 1.21 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -110.77 -175.67 2.77 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.149 0.499 . . . . 0.0 111.207 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -67.34 -19.81 65.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.494 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.46 -36.99 77.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.46 -47.32 86.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.551 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.56 -29.65 70.15 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.764 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.58 -46.18 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.185 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.17 -39.76 93.37 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.05 -44.27 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.84 75.27 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.1 0.476 . . . . 0.0 110.25 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.98 -42.8 94.22 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.942 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.18 -48.28 82.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.883 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HG2' ' OD2' ' A' ' 47' ' ' ASP . 52.5 tttm -53.87 -52.25 61.07 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.821 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.71 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.517 0.511 . . . . 0.0 111.748 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.15 -41.89 66.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.77 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -76.34 -29.46 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.384 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' HG2' ' A' ' 43' ' ' LYS . 7.9 m-20 -51.75 -61.65 2.12 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.634 0.584 . . . . 0.0 109.963 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 37.1 ttpt 62.91 16.26 9.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.803 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 47' ' ' ASP . 3.4 mm? -71.59 -39.78 70.33 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.154 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.55 39.2 27.95 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.038 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 61.81 72.89 0.49 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.042 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.8 t80 . . . . . 0 C--O 1.244 0.797 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.288 -178.163 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.794 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -119.96 4.63 10.92 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.045 0.45 . . . . 0.0 110.809 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.67 21.47 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 121.921 0.867 . . . . 0.0 109.976 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -41.41 99.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.972 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt 72.39 -46.78 0.65 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.833 1.253 . . . . 0.0 112.689 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.2 -20.45 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -89.53 37.2 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -23.78 21.56 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.957 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 m-20 -61.74 -29.83 70.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.669 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.48 87.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.8 -45.5 89.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.455 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.82 -33.73 75.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.431 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 79.1 mt-30 -69.52 -32.83 71.91 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.949 0.404 . . . . 0.0 110.624 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 40.0 ttp180 -66.07 -31.39 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.27 0.557 . . . . 0.0 109.598 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -72.11 -37.93 69.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.806 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.47 -21.05 63.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -164.4 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.185 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 7.8 tp10 175.01 -80.05 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.345 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 65.0 81.9 0.2 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 122.859 0.464 . . . . 0.0 111.001 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.55 -6.85 16.57 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 122.156 -0.34 . . . . 0.0 111.03 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.26 -31.3 65.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.875 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -59.21 -52.36 66.02 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.907 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.51 78.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.2 -51.38 69.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.917 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.45 -35.21 54.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.618 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.52 -33.02 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.798 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -57.37 -47.51 81.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.0 -36.48 84.1 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 8.3 mtpm? -63.26 -35.22 79.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.643 177.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -77.52 -45.22 26.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.993 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.44 -29.28 61.41 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.42 100.7 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.154 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 20.2 t60 -58.51 -36.07 73.24 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.651 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 21.5 t70 -67.83 -48.51 65.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.0 109.911 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.89 -24.04 67.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.251 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.1 t70 -55.15 -56.63 17.74 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.972 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -67.92 -43.57 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 110.646 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.651 ' HD3' ' O ' ' A' ' 34' ' ' ASP . 4.4 mptp? -59.73 -47.89 83.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.843 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.81 -35.08 72.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.98 71.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -27.88 60.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.133 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -69.07 -50.64 46.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.706 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.27 -26.17 64.63 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.162 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.55 87.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.17 -34.73 73.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -71.05 -47.46 58.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.645 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.98 -40.09 54.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.77 -23.54 58.54 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.029 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.3 tp 59.33 20.25 8.47 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.605 0.717 . . . . 0.0 110.586 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.67 157.58 43.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.693 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.33 -17.25 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.053 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.171 -178.335 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.512 ' H2 ' ' CG ' ' A' ' 9' ' ' ASP . . . . . . . . 0 N--CA 1.475 1.289 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -68.56 59.36 0.09 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.346 0.658 . . . . 0.0 112.103 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.49 -21.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.506 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -176.06 -31.49 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.356 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -87.24 5.85 36.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 9' ' ' ASP . 55.6 tp -56.17 -38.14 70.52 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.143 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -46.75 -47.81 20.62 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.989 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.51 17.82 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.432 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.512 ' CG ' ' H2 ' ' A' ' 1' ' ' GLY . 52.0 m-20 -54.49 -31.6 56.21 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.599 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -38.26 56.38 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.79 -46.07 26.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 48' ' ' LYS . 2.8 mp -59.36 -60.59 3.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.259 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.06 -18.9 65.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.671 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -77.85 -45.77 23.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.964 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.21 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.016 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -80.15 -13.98 58.84 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.877 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.18 62.03 2.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.768 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -83.21 -79.72 0.19 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.375 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 52.34 34.12 14.25 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.388 0.613 . . . . 0.0 111.613 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 83.4 m-70 -125.46 -0.33 7.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.701 176.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.67 -29.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.547 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.47 -35.23 77.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.17 68.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.968 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 20' ' ' HIS . 37.2 mt-10 -65.73 -30.71 71.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 33.9 tp -57.8 -44.55 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.027 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.74 -38.3 89.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -62.5 -40.69 97.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.78 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 88.6 mt -65.55 -46.34 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.829 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.0 mmtt -61.88 -31.82 72.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.461 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -77.7 -40.75 40.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.301 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -77.66 -59.51 2.75 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -163.41 120.88 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.555 0.217 . . . . 0.0 110.76 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 73.6 m80 -61.53 -34.46 75.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.835 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.14 -44.75 91.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.045 0.45 . . . . 0.0 110.674 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -67.27 -35.12 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.718 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' A' ' 29' ' ' LYS . 2.9 t70 -51.58 -53.21 40.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.757 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.19 -38.05 87.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.63 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -66.37 -47.96 71.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.875 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 42' ' ' ARG . 6.0 tp10 -72.93 -46.31 53.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.805 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.66 -39.53 65.14 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -87.71 -34.03 18.53 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.198 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 39' ' ' GLU . 31.0 ttp180 -63.65 -46.06 87.34 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.668 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.99 -50.31 73.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.175 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . . . -67.98 -43.05 79.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.005 0.431 . . . . 0.0 111.458 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.88 -35.71 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -86.54 -29.43 22.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.518 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.71 -44.13 87.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HB3' HD22 ' A' ' 12' ' ' LEU . 20.9 pttp -99.25 165.84 11.5 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.24 5.71 9.14 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.038 0.447 . . . . 0.0 110.484 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.24 159.13 15.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.08 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.7 162.48 26.15 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.39 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.603 -179.313 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 CA-C-O 120.376 -0.125 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.473 ' HA ' HD23 ' A' ' 6' ' ' LEU . 16.5 m -58.46 -60.34 3.94 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.44 -13.11 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.41 -55.88 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.56 -41.93 44.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.771 0.32 . . . . 0.0 111.546 -176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 2' ' ' SER . 4.2 mm? -75.26 -31.02 60.65 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.926 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -78.07 -14.41 59.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -52.5 65.18 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.24 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.72 -23.63 53.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.259 0.552 . . . . 0.0 110.748 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.06 -56.03 10.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.057 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.11 -55.36 21.33 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.796 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.708 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HD2' ' OXT' ' A' ' 52' ' ' TYR . 26.8 ttp180 -72.43 -43.57 63.64 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.533 0.206 . . . . 0.0 110.835 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.59 -39.58 84.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 111.298 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -86.76 -12.69 47.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.2 t30 62.22 38.08 13.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.712 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 20' ' ' HIS . 37.8 mt-10 58.07 171.59 0.05 Allowed 'General case' 0 CA--C 1.562 1.435 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.028 -175.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -75.83 19.0 0.22 Allowed 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 18' ' ' GLU . 35.5 m80 -66.76 -37.97 85.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.937 178.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.75 -49.86 69.8 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.574 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.68 -36.36 67.03 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.45 70.28 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.769 0.319 . . . . 0.0 111.238 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.61 -45.65 64.87 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.938 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' HD22 ' A' ' 28' ' ' LEU . 4.3 mm? -57.76 -34.38 69.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.031 0.443 . . . . 0.0 111.197 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.46 -21.53 63.71 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.59 0.756 . . . . 0.0 111.573 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -54.95 -21.76 12.83 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 25' ' ' LEU . 1.6 pt? -59.94 -14.65 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.8 -53.81 9.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.975 0.417 . . . . 0.0 110.585 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 p -91.66 -12.71 33.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -129.01 164.42 23.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -66.68 138.7 57.61 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 122.782 0.433 . . . . 0.0 110.441 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -65.88 -20.68 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.093 0.473 . . . . 0.0 110.406 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.48 -39.04 86.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.087 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -75.43 -43.29 50.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.211 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' A' ' 25' ' ' LEU . 6.3 t70 -53.95 -55.48 26.66 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.768 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -56.57 -44.34 80.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.69 -36.34 78.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.74 -40.73 47.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -28.61 67.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 37.9 tt0 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.088 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.81 -33.12 72.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.798 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.78 -54.97 22.86 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.684 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.334 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 74.9 mt -71.2 -44.88 64.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.707 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.27 -35.71 68.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.7 -66.67 0.56 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.199 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HZ3' ' HA ' ' A' ' 45' ' ' LEU . 41.5 mmtm 49.48 51.76 15.79 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 93.6 mt 82.41 -49.64 0.19 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.765 1.226 . . . . 0.0 110.866 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -159.69 117.88 2.74 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.788 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.23 -44.83 19.05 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.396 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.408 ' OXT' ' HD2' ' A' ' 14' ' ' ARG . 98.5 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.211 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 112.277 -0.329 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m 64.71 9.89 5.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.394 0.678 . . . . 0.0 112.323 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 HG13 HH22 ' A' ' 27' ' ' ARG . 32.6 m -64.66 -21.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 120.966 0.413 . . . . 0.0 111.115 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -70.27 -16.16 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -81.8 -19.58 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.409 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 9' ' ' ASP . 1.1 pt? -126.53 38.55 4.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.154 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.519 HG22 ' H ' ' A' ' 8' ' ' ALA . 4.9 t -71.14 -66.74 0.58 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' H ' HG22 ' A' ' 7' ' ' THR . . . -78.61 -32.31 47.44 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.692 0.758 . . . . 0.0 109.676 175.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.631 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 2.9 m-20 -61.28 -20.09 62.48 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.175 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . . . -55.37 -45.73 76.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.369 178.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.76 -39.77 94.17 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.67 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.1 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 40.4 mt-30 -66.81 -33.32 75.36 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.369 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -63.11 -32.67 74.1 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -86.55 -52.91 5.28 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.779 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -79.25 -34.03 43.04 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -174.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.3 m-20 -86.41 -26.52 24.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.599 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 35.4 tt0 65.5 10.34 6.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.775 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -151.61 29.49 0.61 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.411 0.624 . . . . 0.0 109.947 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 10' ' ' ALA . 20.9 t-80 -55.63 -57.96 9.78 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.67 -41.96 70.78 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.59 -53.45 13.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.594 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.97 80.55 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.859 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.86 -48.2 77.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.912 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -52.02 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 19.1 tp10 -61.35 -39.55 90.99 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.204 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 HH22 HG13 ' A' ' 3' ' ' VAL . 23.6 ttt-85 -54.0 -42.32 68.93 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.049 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -78.1 -35.6 49.07 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.149 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 45.8 mtpt -53.98 -49.17 69.39 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 110.074 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 p -86.17 -21.73 27.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.139 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 61.72 47.73 6.08 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.313 1.054 . . . . 0.0 108.433 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -85.15 95.65 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.708 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -68.25 -19.1 64.7 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.237 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.44 -32.48 70.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.386 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.56 -47.25 76.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.78 -45.34 82.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.123 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.2 tptt -62.41 -50.27 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.343 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.09 -37.82 88.83 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.447 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 42' ' ' ARG . 9.6 tp10 -68.0 -45.48 73.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.3 89.35 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 36.7 mm-40 -59.54 -35.24 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 110.488 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 HH21 ' CD ' ' A' ' 39' ' ' GLU . 29.9 ttp180 -71.56 -48.19 50.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.548 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -62.5 -34.78 77.54 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.046 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.67 94.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.101 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.1 -41.62 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.932 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.52 -36.07 76.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.902 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.49 -30.35 59.85 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.4 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -83.06 9.57 10.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.238 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.77 2.95 0.16 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.36 64.31 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.8 97.2 7.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.173 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.31 -1.149 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 -178.011 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.377 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -120.99 23.48 10.63 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 27.5 t -43.35 -52.22 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.639 0.776 . . . . 0.0 112.747 -175.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.87 -56.79 6.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -70.75 -26.63 63.45 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.5 tp -87.89 2.64 51.01 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 m 66.7 17.01 10.53 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.807 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' O ' HD11 ' A' ' 12' ' ' LEU . . . -72.64 -25.35 61.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 109.953 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.42 -30.62 71.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.939 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.31 77.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.727 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -62.87 -41.51 99.42 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 8' ' ' ALA . 6.3 mp -55.34 -47.33 75.86 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -65.29 -42.47 93.08 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.311 0.576 . . . . 0.0 109.904 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -54.22 -33.85 59.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.061 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 66.2 mt -92.59 -38.09 12.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.853 0.358 . . . . 0.0 111.395 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 13.2 tppt? -47.85 -25.3 1.25 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -66.79 -1.15 3.55 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 75.89 61.78 0.05 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.167 0.587 . . . . 0.0 110.539 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 19' ' ' ARG . 11.1 ttp180 -119.4 61.95 0.81 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 120.931 0.396 . . . . 0.0 110.674 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 77.88 -54.28 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.513 1.125 . . . . 0.0 113.176 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.85 -17.52 53.04 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.591 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 21.3 tp10 -63.09 -45.58 91.43 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.339 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.49 -40.78 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.643 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.5 tp -67.13 -44.56 79.54 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.466 178.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.13 -39.29 92.05 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.274 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 18.7 ttp180 -64.85 -44.1 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD11 ' ND1' ' A' ' 35' ' ' HIS . 47.3 tp -63.72 -41.87 98.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.092 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.56 -36.75 79.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.997 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -68.54 -42.74 78.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.741 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 44.6 mt-10 -65.15 -56.87 10.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.609 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -143.84 116.56 8.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 28.9 p80 -67.37 -20.57 65.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.96 0.41 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.08 -43.58 74.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.36 0.6 . . . . 0.0 109.849 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' ND1' HD11 ' A' ' 28' ' ' LEU . 11.5 t-160 -72.73 -21.34 61.04 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.644 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' HIS . 11.6 t70 -56.22 -53.31 58.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.758 177.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.44 -37.18 44.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.27 -39.77 94.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.335 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 tp10 -76.79 -41.49 44.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.065 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.49 83.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.006 0.432 . . . . 0.0 110.144 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -65.71 -48.79 70.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.644 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -62.04 -46.99 86.73 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 111.231 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 15' ' ' LEU . 64.6 tttp -63.23 -41.72 99.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.986 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 48' ' ' LYS . . . -64.07 -25.75 68.24 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mp -89.78 -16.52 30.06 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 120.916 0.389 . . . . 0.0 111.278 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -86.61 -47.25 9.36 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.17 -26.43 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 24.1 ttmm 46.07 -87.43 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.3 mt -140.55 17.3 2.37 Favored 'General case' 0 C--O 1.231 0.125 0 O-C-N 122.086 -0.384 . . . . 0.0 110.395 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 107.27 1.35 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.128 0.49 . . . . 0.0 111.758 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.74 120.85 32.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.106 0.479 . . . . 0.0 110.428 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.009 -179.402 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.941 -0.464 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -70.83 -23.31 62.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.401 0.28 . . . . 0.0 111.657 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 3' ' ' VAL . 10.4 p -77.83 65.68 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.663 0 CA-C-O 121.137 0.494 . . . . 0.0 111.616 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 62.72 17.47 9.83 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.953 -0.467 . . . . 0.0 111.554 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' HD2' ' CG ' ' A' ' 9' ' ' ASP . 33.6 mttp 54.19 44.61 28.87 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.681 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 8' ' ' ALA . 73.0 mt 71.78 18.44 5.16 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p 61.32 -10.52 0.06 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.696 1.199 . . . . 0.0 114.144 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -76.83 -32.5 57.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 25.0 t70 -60.37 -50.21 74.51 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.642 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -62.72 -28.54 70.02 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.762 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.092 0.473 . . . . 0.0 109.878 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 44' ' ' ALA . 4.5 pp -61.92 -34.88 76.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.675 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 29.1 tt0 -59.56 -32.3 70.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.576 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 82.6 mtp180 -64.12 -36.8 85.23 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.028 177.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -79.98 -43.8 21.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 21' ' ' GLU . 44.1 mmtm -67.61 -13.78 62.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.963 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 m120 78.7 12.55 1.46 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 13' ' ' GLN . 31.4 mt-10 59.64 36.44 22.57 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.546 0.212 . . . . 0.0 110.705 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -101.57 -78.36 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.79 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -67.97 -28.83 67.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.415 0.626 . . . . 0.0 109.693 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 16' ' ' LYS . 28.2 mt-10 -58.59 -49.95 75.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.14 -51.06 61.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.83 76.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.61 -47.76 65.86 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.6 -48.8 75.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.669 0.271 . . . . 0.0 111.357 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.39 -28.66 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -68.42 -47.09 68.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.46 -42.09 96.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 36' ' ' ASP . 39.5 ttmt -62.61 -35.49 79.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.935 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -67.84 -37.94 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -72.37 -56.58 5.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.223 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -141.16 112.25 7.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -64.41 -29.03 70.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.292 0.568 . . . . 0.0 110.021 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.5 -48.08 76.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.839 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 79.4 t60 -60.59 -39.64 88.85 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.574 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 8.9 t70 -50.66 -52.38 40.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.916 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.1 tttt -49.8 -49.89 47.0 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -72.63 -19.71 61.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.973 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 45.6 mm-40 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.915 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 43' ' ' LYS . . . -64.19 -46.35 84.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.536 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 10.5 pt-20 -71.75 -35.3 70.07 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.688 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttp-105 -77.24 -22.81 51.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 52.6 tttm -50.96 -48.55 61.01 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.755 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.482 ' HA ' HD23 ' A' ' 12' ' ' LEU . . . -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.777 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -77.2 -26.79 53.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.603 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -94.03 -5.3 47.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.652 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -105.46 -61.35 1.5 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.058 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 32.7 tptt -81.02 3.5 22.86 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.462 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -6.24 52.91 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.011 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.93 -58.71 1.83 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.994 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.71 152.35 19.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.156 0.503 . . . . 0.0 111.382 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.0 p90 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.366 -0.825 . . . . 0.0 110.45 177.5 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.018 0.437 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.46 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.144 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.14 -39.02 84.89 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.079 0.466 . . . . 0.0 110.566 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.63 -37.9 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -71.98 -41.78 67.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.542 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 43.4 mm-40 -66.14 -21.21 66.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.067 0.46 . . . . 0.0 110.983 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.11 91.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -78.09 -33.83 50.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.221 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' HD3' ' OE1' ' A' ' 39' ' ' GLU . 5.8 ttp-105 -56.27 -49.62 73.7 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.96 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 18.4 pttm -73.89 -19.81 60.59 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.082 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.61 87.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.813 0.339 . . . . 0.0 110.14 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -86.7 -16.14 37.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.174 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 41.0 tt0 -85.3 -58.06 2.83 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.307 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.536 -179.745 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -57.06 -34.73 68.54 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.11 -48.21 68.84 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.65 -49.55 62.33 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -62.82 -30.44 71.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 0.0 109.801 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.53 -32.77 60.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.722 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.71 -48.55 74.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 20.5 ptt180 -78.13 -35.95 48.46 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.443 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.6 -44.74 89.97 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.701 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -30.74 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.384 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.5 tp -74.87 -54.12 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 2.8 mm-40 -60.2 -37.27 79.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.432 0.634 . . . . 0.0 109.98 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.471 0.581 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.233 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -72.67 -39.66 66.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.91 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.19 -58.08 9.13 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -68.38 -29.89 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -59.68 -47.22 86.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.7 mt-10 -81.0 -46.41 15.1 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.232 177.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.12 -56.85 4.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.37 -40.42 94.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -88.36 -38.05 15.43 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 14.0 tptm -55.29 -56.53 18.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.43 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.72 50.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.549 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.1 -48.62 9.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.744 0.307 . . . . 0.0 111.677 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.27 -43.87 66.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--N 1.323 -0.55 0 C-N-CA 119.908 -0.717 . . . . 0.0 112.335 -174.734 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.926 0.393 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.46 -47.32 86.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.551 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.56 -29.65 70.15 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.764 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.58 -46.18 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.185 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.17 -39.76 93.37 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.05 -44.27 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.84 75.27 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.1 0.476 . . . . 0.0 110.25 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.98 -42.8 94.22 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.942 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.18 -48.28 82.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.883 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' OD2' ' A' ' 47' ' ' ASP . 52.5 tttm -53.87 -52.25 61.07 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.821 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.71 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.517 0.511 . . . . 0.0 111.748 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.15 -41.89 66.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.77 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -76.34 -29.46 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.384 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' OD2' ' HG2' ' A' ' 43' ' ' LYS . 7.9 m-20 . . . . . 0 CA--C 1.503 -0.855 0 O-C-N 123.634 0.584 . . . . 0.0 109.963 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.666 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 21.5 t70 . . . . . 0 N--CA 1.468 0.428 0 CA-C-O 121.106 0.479 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.89 -24.04 67.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.251 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.15 -56.63 17.74 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.972 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -67.92 -43.57 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 110.646 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.666 ' HD3' ' O ' ' A' ' 34' ' ' ASP . 4.4 mptp? -59.73 -47.89 83.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.843 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.81 -35.08 72.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.98 71.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -27.88 60.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.133 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -69.07 -50.64 46.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.706 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.27 -26.17 64.63 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.162 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.55 87.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.17 -34.73 73.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -71.05 -47.46 58.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.645 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -176.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 121.045 0.45 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -67.27 -35.12 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.718 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.58 -53.21 40.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.757 176.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.19 -38.05 87.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.63 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -66.37 -47.96 71.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.875 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.439 ' CD ' HH21 ' A' ' 42' ' ' ARG . 6.0 tp10 -72.93 -46.31 53.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.805 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.66 -39.53 65.14 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -87.71 -34.03 18.53 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.198 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 HH21 ' CD ' ' A' ' 39' ' ' GLU . 31.0 ttp180 -63.65 -46.06 87.34 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.668 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.99 -50.31 73.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.175 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.05 79.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.005 0.431 . . . . 0.0 111.458 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.88 -35.71 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -86.54 -29.43 22.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.518 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.471 0.575 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 -178.453 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -75.43 -43.29 50.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.211 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.95 -55.48 26.66 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.768 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -56.57 -44.34 80.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.69 -36.34 78.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.74 -40.73 47.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -28.61 67.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 37.9 tt0 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.088 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.81 -33.12 72.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.798 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.78 -54.97 22.86 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.684 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.334 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 74.9 mt -71.2 -44.88 64.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.707 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.27 -35.71 68.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.314 -0.968 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.199 -178.563 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.709 0.29 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.56 -47.25 76.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.78 -45.34 82.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.123 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.2 tptt -62.41 -50.27 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.343 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.09 -37.82 88.83 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.447 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 42' ' ' ARG . 9.6 tp10 -68.0 -45.48 73.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.3 89.35 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 36.7 mm-40 -59.54 -35.24 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 110.488 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 39' ' ' GLU . 29.9 ttp180 -71.56 -48.19 50.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.548 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -62.5 -34.78 77.54 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.046 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.67 94.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.101 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.1 -41.62 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.932 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.52 -36.07 76.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.902 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--N 1.313 -0.983 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.4 178.847 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.36 0.6 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 11.5 t-160 -72.73 -21.34 61.04 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.644 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.22 -53.31 58.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.758 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.44 -37.18 44.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.27 -39.77 94.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.335 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 tp10 -76.79 -41.49 44.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.065 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.49 83.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.006 0.432 . . . . 0.0 110.144 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 45' ' ' LEU . 44.8 tt0 -65.71 -48.79 70.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.644 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -62.04 -46.99 86.73 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 111.231 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -63.23 -41.72 99.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.986 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.75 68.24 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 41' ' ' GLU . 9.6 mp -89.78 -16.52 30.06 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 120.916 0.389 . . . . 0.0 111.278 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -86.61 -47.25 9.36 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.566 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.109 0.48 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 79.4 t60 -60.59 -39.64 88.85 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.574 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.66 -52.38 40.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.916 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.1 tttt -49.8 -49.89 47.0 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -72.63 -19.71 61.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.973 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 45.6 mm-40 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.915 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' LYS . . . -64.19 -46.35 84.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.536 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 10.5 pt-20 -71.75 -35.3 70.07 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.688 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttp-105 -77.24 -22.81 51.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 52.6 tttm -50.96 -48.55 61.01 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.755 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.777 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -77.2 -26.79 53.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.603 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -94.03 -5.3 47.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.652 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.318 -0.804 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.058 -177.172 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 28' ' ' LEU . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -62.9 -21.82 66.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.571 0.348 . . . . 0.0 111.098 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.32 -44.82 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.607 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 51.71 53.62 12.38 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.595 0.358 . . . . 0.0 111.244 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.94 -68.15 0.23 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-O 121.104 0.478 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 pp -132.12 4.95 4.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -102.04 27.54 6.51 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.193 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -56.74 -37.19 70.66 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.9 0.381 . . . . 0.0 110.36 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.41 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 7.7 p-10 -63.22 -33.47 75.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.266 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.69 ' OE2' ' HD2' ' A' ' 14' ' ' ARG . 6.7 tp10 -63.53 -35.16 79.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.5 mt -60.36 -54.56 44.18 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.233 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 34.3 mt-30 -66.01 -21.69 66.41 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.322 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HD2' ' OE2' ' A' ' 11' ' ' GLU . 45.2 ttm180 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.252 0.549 . . . . 0.0 109.567 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.44 -31.89 62.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 56.8 tttp -56.67 -39.93 74.64 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.037 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' OD1' ' HA ' ' A' ' 14' ' ' ARG . 2.5 p-10 -88.2 60.06 5.57 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.861 0.838 . . . . 0.0 109.924 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.61 -23.63 59.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.835 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -73.21 1.71 8.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.784 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -162.1 21.97 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.864 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 6.8 pt-20 -73.34 -45.8 53.08 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 11.3 pt-20 -64.93 -20.82 66.66 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.597 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -84.2 -47.52 10.74 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' CD ' HH12 ' A' ' 42' ' ' ARG . 52.7 tt0 -69.85 -46.67 65.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.6 tp -58.43 -53.05 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.621 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.07 -41.17 82.79 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.345 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 74.9 mtp180 -59.8 -50.65 72.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 110.731 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 1' ' ' GLY . 57.3 mt -60.45 -29.29 68.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.385 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 57.4 mtpt -62.13 -44.52 96.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.124 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -87.73 -38.69 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.705 0.288 . . . . 0.0 111.479 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -76.5 152.48 36.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -39.46 150.48 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -65.1 -32.71 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.903 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.73 -25.24 67.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.46 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.144 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.14 -39.02 84.89 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.079 0.466 . . . . 0.0 110.566 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.63 -37.9 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -71.98 -41.78 67.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.542 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 43.4 mm-40 -66.14 -21.21 66.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.067 0.46 . . . . 0.0 110.983 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.11 91.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -78.09 -33.83 50.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.221 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.469 HH12 ' CD ' ' A' ' 24' ' ' GLU . 5.8 ttp-105 -56.27 -49.62 73.7 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.96 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 18.4 pttm -73.89 -19.81 60.59 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.082 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.61 87.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.813 0.339 . . . . 0.0 110.14 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -86.7 -16.14 37.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.174 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 41.0 tt0 -85.3 -58.06 2.83 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.307 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.577 ' OD2' ' HG3' ' A' ' 48' ' ' LYS . 13.5 t70 -66.48 -45.86 78.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.536 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HG3' ' OD2' ' A' ' 47' ' ' ASP . 36.5 mtmm -131.04 -174.99 3.54 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.88 -52.37 65.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.57 156.98 8.38 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.088 0.471 . . . . 0.0 111.517 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.78 95.18 4.81 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 C--N 1.309 -1.173 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.675 -178.73 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.058 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -77.76 89.57 4.01 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.722 0.296 . . . . 0.0 110.543 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.06 -50.47 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.427 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -150.19 -91.14 0.07 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 46.93 37.73 5.3 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 71.6 mt 77.65 -9.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.44 0.696 . . . . 0.0 112.307 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.1 m 75.76 -53.7 0.63 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.298 1.039 . . . . 0.0 112.173 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.6 -47.13 12.46 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.769 0.795 . . . . 0.0 110.522 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 39.4 m-20 -72.73 -20.75 61.15 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.54 -28.68 69.5 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.358 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.46 -41.3 89.25 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 4.8 mp -61.43 -45.95 92.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.84 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.598 ' OE1' ' HG ' ' A' ' 49' ' ' LEU . 14.3 mm100 -66.35 -17.74 64.95 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.212 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.447 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 41.4 ttm180 -78.27 -25.62 46.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.167 0.508 . . . . 0.0 110.19 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.11 -42.3 72.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.504 0.668 . . . . 0.0 109.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -87.64 -12.62 44.99 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.399 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 14' ' ' ARG . 40.6 t30 -54.26 122.83 11.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.112 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.46 4.73 26.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.434 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' H ' ' CG ' ' A' ' 17' ' ' ASN . 55.8 ttm-85 74.91 44.1 0.2 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.413 1.085 . . . . 0.0 110.814 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -130.38 29.24 4.88 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.128 -0.357 . . . . 0.0 111.216 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.9 -44.27 96.55 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.014 0.435 . . . . 0.0 110.17 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.57 -41.78 90.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.884 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.91 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.77 -47.94 81.08 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.022 0.439 . . . . 0.0 110.176 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.13 -40.92 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.69 -48.86 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.749 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.74 -39.41 94.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.72 -40.11 82.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.849 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -80.25 -33.79 37.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.834 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.1 m -61.74 -48.1 82.23 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.936 0.398 . . . . 0.0 110.686 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 10.5 mm-40 -70.76 145.33 50.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.741 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -87.65 -92.58 0.1 Allowed 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.035 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -65.56 -20.58 66.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 31' ' ' GLU . 6.1 m-20 -68.32 -15.84 63.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.545 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -57.06 -34.73 68.54 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.11 -48.21 68.84 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.65 -49.55 62.33 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -62.82 -30.44 71.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 0.0 109.801 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.53 -32.77 60.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.722 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.71 -48.55 74.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 20.5 ptt180 -78.13 -35.95 48.46 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.443 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.6 -44.74 89.97 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.701 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -30.74 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.384 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.5 tp -74.87 -54.12 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 2.8 mm-40 -60.2 -37.27 79.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.432 0.634 . . . . 0.0 109.98 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.48 -42.88 93.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.233 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.53 -25.49 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.52 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HG ' ' OE1' ' A' ' 13' ' ' GLN . 4.6 mm? -73.49 -35.17 65.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.975 0.417 . . . . 0.0 109.99 176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.57 75.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.091 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -157.06 122.34 4.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.554 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 C--N 1.314 -0.939 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.014 178.764 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -118.7 -72.4 0.69 Allowed 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.366 -0.49 . . . . 0.0 110.815 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.4 HG11 ' NH2' ' A' ' 14' ' ' ARG . 7.7 p -98.2 -3.24 9.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.405 0.621 . . . . 0.0 110.618 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -79.31 21.96 0.45 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.617 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -97.11 32.64 2.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.695 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.5 tp 67.46 33.09 5.39 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.861 0.839 . . . . 0.0 108.8 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.519 HG21 ' HB1' ' A' ' 40' ' ' ALA . 13.5 p -113.84 46.58 1.29 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.873 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.59 -21.42 38.89 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.31 -29.3 70.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.291 0.567 . . . . 0.0 110.337 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 -32.88 64.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.676 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.608 ' HG2' ' NH2' ' A' ' 14' ' ' ARG . 49.9 mt-10 -66.84 -30.86 71.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.89 -43.73 87.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.458 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -76.19 -16.74 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.915 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.608 ' NH2' ' HG2' ' A' ' 11' ' ' GLU . 23.3 ttm180 -71.86 -45.55 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.4 tp -73.64 -32.43 64.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.339 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -76.64 -21.38 55.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.742 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.17 39.14 0.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.099 1.359 . . . . 0.0 114.193 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' H ' ' A' ' 19' ' ' ARG . 10.8 pt-20 -68.49 -66.73 0.53 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' H ' ' HG3' ' A' ' 18' ' ' GLU . 99.4 mtt180 -110.22 3.39 19.99 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 54.75 44.36 28.63 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -51.93 -30.79 25.9 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -1.08 . . . . 0.0 112.202 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.13 -37.09 83.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.64 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.07 74.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.551 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.86 -28.08 65.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -71.4 -43.36 66.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.53 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.43 -22.05 53.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.0 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -58.16 -31.64 67.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.276 0.56 . . . . 0.0 109.569 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 9.1 mp -72.83 -39.35 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.375 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -54.46 -47.68 72.64 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.935 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 p -65.47 -26.02 67.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.243 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.34 -64.61 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -163.55 122.63 2.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.467 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -59.25 -31.97 69.57 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.751 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.62 -46.79 83.67 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -72.67 -39.66 66.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.91 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 9.8 t70 -55.19 -58.08 9.13 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.561 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -68.38 -29.89 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -59.68 -47.22 86.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.7 mt-10 -81.0 -46.41 15.1 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.232 177.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 7' ' ' THR . . . -45.12 -56.85 4.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.37 -40.42 94.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -88.36 -38.05 15.43 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 14.0 tptm -55.29 -56.53 18.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.43 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . . . -80.73 -17.72 50.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.549 -175.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.1 -48.62 9.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.744 0.307 . . . . 0.0 111.677 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.27 -43.87 66.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 22.3 t70 -140.74 10.3 2.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.908 -0.717 . . . . 0.0 112.335 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 42.0 mmtm 66.88 -57.61 0.41 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 122.221 -0.299 . . . . 0.0 111.68 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.25 -52.91 3.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.3 24.15 13.6 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.523 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -97.82 132.16 43.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.314 -0.944 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.036 -179.433 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.829 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -105.3 169.28 8.54 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.72 101.28 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 70.33 79.29 0.18 Allowed 'General case' 0 C--N 1.369 1.427 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HB2' ' OD1' ' A' ' 9' ' ' ASP . 71.5 mttt -61.44 -77.9 0.04 OUTLIER 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 7' ' ' THR . 7.9 mp -118.39 18.99 13.53 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.657 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 6' ' ' LEU . 86.2 m 76.18 -44.37 0.49 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.423 0.689 . . . . 0.0 111.772 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -72.04 -46.73 55.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.484 0.659 . . . . 0.0 109.486 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 4.4 p30 -74.04 -21.8 59.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.371 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -61.59 -49.53 76.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.672 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 34.5 tt0 -62.19 -44.1 97.35 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.1 mp -56.23 -47.49 78.37 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.763 178.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 29.8 mm-40 -62.07 -38.71 89.85 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.408 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 78.2 mtp180 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 110.324 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.5 mt -73.97 -40.01 63.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.712 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -60.03 -29.58 68.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.781 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 72.37 7.06 5.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.416 0.686 . . . . 0.0 110.679 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -103.76 39.38 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.005 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -71.6 3.18 4.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.601 0.715 . . . . 0.0 110.329 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.47 -18.6 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.947 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -56.27 -33.73 65.77 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.266 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -41.66 97.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.143 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.29 -27.3 65.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.35 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.99 -35.16 69.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.54 -25.47 64.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.145 0.498 . . . . 0.0 109.893 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -66.66 -33.86 76.57 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.59 -17.63 64.73 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.179 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 tp -48.47 -26.85 2.33 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.31 -39.88 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.861 178.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.62 -38.67 47.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 0.0 110.156 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.18 -165.89 1.21 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -110.77 -175.67 2.77 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.149 0.499 . . . . 0.0 111.207 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -67.34 -19.81 65.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.494 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.46 -36.99 77.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.46 -47.32 86.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.551 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.56 -29.65 70.15 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.764 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.58 -46.18 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.185 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.17 -39.76 93.37 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.05 -44.27 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.84 75.27 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.1 0.476 . . . . 0.0 110.25 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.98 -42.8 94.22 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.942 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.18 -48.28 82.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.883 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' OD2' ' A' ' 47' ' ' ASP . 52.5 tttm -53.87 -52.25 61.07 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.821 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.71 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.517 0.511 . . . . 0.0 111.748 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.15 -41.89 66.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.77 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -76.34 -29.46 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.384 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' OD2' ' HG2' ' A' ' 43' ' ' LYS . 7.9 m-20 -51.75 -61.65 2.12 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.634 0.584 . . . . 0.0 109.963 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 37.1 ttpt 62.91 16.26 9.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.803 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' ' 47' ' ' ASP . 3.4 mm? -71.59 -39.78 70.33 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.154 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.55 39.2 27.95 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.038 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 61.81 72.89 0.49 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.042 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.8 t80 . . . . . 0 C--O 1.244 0.797 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.288 -178.163 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.794 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -119.96 4.63 10.92 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.045 0.45 . . . . 0.0 110.809 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.67 21.47 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 121.921 0.867 . . . . 0.0 109.976 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -41.41 99.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.972 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt 72.39 -46.78 0.65 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.833 1.253 . . . . 0.0 112.689 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . 3.4 mm? -129.2 -20.45 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.728 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -89.53 37.2 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -23.78 21.56 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.957 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 m-20 -61.74 -29.83 70.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.669 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.48 87.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.8 -45.5 89.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.455 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.82 -33.73 75.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.431 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 79.1 mt-30 -69.52 -32.83 71.91 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.949 0.404 . . . . 0.0 110.624 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 40.0 ttp180 -66.07 -31.39 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.27 0.557 . . . . 0.0 109.598 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -72.11 -37.93 69.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.806 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.47 -21.05 63.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -164.4 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.185 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 7.8 tp10 175.01 -80.05 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.345 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 65.0 81.9 0.2 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 122.859 0.464 . . . . 0.0 111.001 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.55 -6.85 16.57 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 122.156 -0.34 . . . . 0.0 111.03 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.26 -31.3 65.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.875 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -59.21 -52.36 66.02 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.907 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.51 78.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.2 -51.38 69.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.917 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.45 -35.21 54.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.618 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.52 -33.02 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.798 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -57.37 -47.51 81.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.0 -36.48 84.1 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 8.3 mtpm? -63.26 -35.22 79.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.643 177.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -77.52 -45.22 26.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.993 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.44 -29.28 61.41 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.42 100.7 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.154 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 20.2 t60 -58.51 -36.07 73.24 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.666 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 21.5 t70 -67.83 -48.51 65.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.0 109.911 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.89 -24.04 67.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.251 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.1 t70 -55.15 -56.63 17.74 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.972 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -67.92 -43.57 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 110.646 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.666 ' HD3' ' O ' ' A' ' 34' ' ' ASP . 4.4 mptp? -59.73 -47.89 83.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.843 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.81 -35.08 72.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -59.12 -50.98 71.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -27.88 60.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.133 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -69.07 -50.64 46.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.706 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.27 -26.17 64.63 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.162 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.55 87.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.17 -34.73 73.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -71.05 -47.46 58.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.645 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.98 -40.09 54.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.77 -23.54 58.54 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.029 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.3 tp 59.33 20.25 8.47 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.605 0.717 . . . . 0.0 110.586 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.67 157.58 43.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.693 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.33 -17.25 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.053 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.171 -178.335 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.289 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -68.56 59.36 0.09 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.346 0.658 . . . . 0.0 112.103 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.49 -21.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.506 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -176.06 -31.49 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.356 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -87.24 5.85 36.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 9' ' ' ASP . 55.6 tp -56.17 -38.14 70.52 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.143 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -46.75 -47.81 20.62 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.989 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -79.14 -46.51 17.82 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.432 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 52.0 m-20 -54.49 -31.6 56.21 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.599 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -38.26 56.38 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.79 -46.07 26.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 48' ' ' LYS . 2.8 mp -59.36 -60.59 3.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.259 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.06 -18.9 65.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.671 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -77.85 -45.77 23.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.964 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.21 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.016 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -80.15 -13.98 58.84 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.877 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.18 62.03 2.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.768 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -83.21 -79.72 0.19 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.375 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 52.34 34.12 14.25 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.388 0.613 . . . . 0.0 111.613 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 83.4 m-70 -125.46 -0.33 7.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.701 176.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.67 -29.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.547 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.47 -35.23 77.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.17 68.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.968 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' HIS . 37.2 mt-10 -65.73 -30.71 71.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 33.9 tp -57.8 -44.55 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.027 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.74 -38.3 89.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -62.5 -40.69 97.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.78 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 88.6 mt -65.55 -46.34 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.829 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.0 mmtt -61.88 -31.82 72.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.461 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -77.7 -40.75 40.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.301 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -77.66 -59.51 2.75 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -163.41 120.88 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.555 0.217 . . . . 0.0 110.76 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 73.6 m80 -61.53 -34.46 75.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.835 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.14 -44.75 91.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.045 0.45 . . . . 0.0 110.674 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -67.27 -35.12 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.718 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 33' ' ' HIS . 2.9 t70 -51.58 -53.21 40.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.757 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.19 -38.05 87.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.63 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -66.37 -47.96 71.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.875 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.439 ' CD ' HH21 ' A' ' 42' ' ' ARG . 6.0 tp10 -72.93 -46.31 53.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.805 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.66 -39.53 65.14 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -87.71 -34.03 18.53 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.198 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 HH21 ' CD ' ' A' ' 39' ' ' GLU . 31.0 ttp180 -63.65 -46.06 87.34 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.668 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.99 -50.31 73.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.175 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.05 79.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.005 0.431 . . . . 0.0 111.458 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.88 -35.71 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -86.54 -29.43 22.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.518 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.71 -44.13 87.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 12' ' ' LEU . 20.9 pttp -99.25 165.84 11.5 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.24 5.71 9.14 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.038 0.447 . . . . 0.0 110.484 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.24 159.13 15.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.08 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.7 162.48 26.15 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.39 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.603 -179.313 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 CA-C-O 120.376 -0.125 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.509 ' HA ' HD23 ' A' ' 6' ' ' LEU . 16.5 m -58.46 -60.34 3.94 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.44 -13.11 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 5' ' ' LYS . 9.9 pt-20 -120.41 -55.88 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' HG3' ' A' ' 4' ' ' GLU . 95.2 mttt -76.56 -41.93 44.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.771 0.32 . . . . 0.0 111.546 -176.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 2' ' ' SER . 4.2 mm? -75.26 -31.02 60.65 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.926 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -78.07 -14.41 59.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -52.5 65.18 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.24 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.72 -23.63 53.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.259 0.552 . . . . 0.0 110.748 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.06 -56.03 10.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.057 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.11 -55.36 21.33 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.796 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.708 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HD2' ' OXT' ' A' ' 52' ' ' TYR . 26.8 ttp180 -72.43 -43.57 63.64 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.533 0.206 . . . . 0.0 110.835 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.59 -39.58 84.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 111.298 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -86.76 -12.69 47.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.2 t30 62.22 38.08 13.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.712 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.07 171.59 0.05 Allowed 'General case' 0 CA--C 1.562 1.435 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.028 -175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -75.83 19.0 0.22 Allowed 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -66.76 -37.97 85.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.937 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.75 -49.86 69.8 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.574 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.68 -36.36 67.03 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.45 70.28 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.769 0.319 . . . . 0.0 111.238 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.61 -45.65 64.87 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.938 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' O ' HD22 ' A' ' 28' ' ' LEU . 4.3 mm? -57.76 -34.38 69.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.031 0.443 . . . . 0.0 111.197 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.46 -21.53 63.71 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.59 0.756 . . . . 0.0 111.573 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -54.95 -21.76 12.83 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 25' ' ' LEU . 1.6 pt? -59.94 -14.65 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.8 -53.81 9.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.975 0.417 . . . . 0.0 110.585 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 p -91.66 -12.71 33.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -129.01 164.42 23.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -66.68 138.7 57.61 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 122.782 0.433 . . . . 0.0 110.441 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -65.88 -20.68 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.093 0.473 . . . . 0.0 110.406 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.48 -39.04 86.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.087 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -75.43 -43.29 50.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.211 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' HA ' ' A' ' 25' ' ' LEU . 6.3 t70 -53.95 -55.48 26.66 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.768 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -56.57 -44.34 80.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.69 -36.34 78.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.74 -40.73 47.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -28.61 67.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 37.9 tt0 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.088 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.81 -33.12 72.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.798 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.78 -54.97 22.86 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.684 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.334 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 74.9 mt -71.2 -44.88 64.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.707 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.27 -35.71 68.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.7 -66.67 0.56 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.199 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 41.5 mmtm 49.48 51.76 15.79 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 93.6 mt 82.41 -49.64 0.19 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.765 1.226 . . . . 0.0 110.866 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -159.69 117.88 2.74 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.788 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.23 -44.83 19.05 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.396 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' OXT' ' HD2' ' A' ' 14' ' ' ARG . 98.5 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.211 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 112.277 -0.329 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m 64.71 9.89 5.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.394 0.678 . . . . 0.0 112.323 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.524 HG12 HH22 ' A' ' 27' ' ' ARG . 32.6 m -64.66 -21.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 120.966 0.413 . . . . 0.0 111.115 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -70.27 -16.16 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -81.8 -19.58 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.409 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 9' ' ' ASP . 1.1 pt? -126.53 38.55 4.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.154 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 8' ' ' ALA . 4.9 t -71.14 -66.74 0.58 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.565 ' H ' HG23 ' A' ' 7' ' ' THR . . . -78.61 -32.31 47.44 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.692 0.758 . . . . 0.0 109.676 175.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 2.9 m-20 -61.28 -20.09 62.48 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.175 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 20' ' ' HIS . . . -55.37 -45.73 76.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.369 178.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.76 -39.77 94.17 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.67 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.1 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 40.4 mt-30 -66.81 -33.32 75.36 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.369 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -63.11 -32.67 74.1 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -86.55 -52.91 5.28 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.779 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -79.25 -34.03 43.04 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -174.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.3 m-20 -86.41 -26.52 24.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.599 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 35.4 tt0 65.5 10.34 6.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.775 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 19' ' ' ARG . 15.1 ttp180 -151.61 29.49 0.61 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.411 0.624 . . . . 0.0 109.947 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CE1' ' HB1' ' A' ' 10' ' ' ALA . 20.9 t-80 -55.63 -57.96 9.78 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.67 -41.96 70.78 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.59 -53.45 13.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.594 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.97 80.55 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.859 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.86 -48.2 77.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.912 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -52.02 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 19.1 tp10 -61.35 -39.55 90.99 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.204 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.524 HH22 HG12 ' A' ' 3' ' ' VAL . 23.6 ttt-85 -54.0 -42.32 68.93 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.049 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -78.1 -35.6 49.07 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.149 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 45.8 mtpt -53.98 -49.17 69.39 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 110.074 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 p -86.17 -21.73 27.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.139 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 61.72 47.73 6.08 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.313 1.054 . . . . 0.0 108.433 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -85.15 95.65 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.708 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -68.25 -19.1 64.7 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.237 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.44 -32.48 70.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.386 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.56 -47.25 76.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.78 -45.34 82.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.123 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.2 tptt -62.41 -50.27 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.343 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.09 -37.82 88.83 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.447 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 42' ' ' ARG . 9.6 tp10 -68.0 -45.48 73.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.3 89.35 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 36.7 mm-40 -59.54 -35.24 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 110.488 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 39' ' ' GLU . 29.9 ttp180 -71.56 -48.19 50.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.548 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -62.5 -34.78 77.54 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.046 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.67 94.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.101 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.1 -41.62 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.932 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.52 -36.07 76.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.902 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.49 -30.35 59.85 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.4 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -83.06 9.57 10.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.238 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.77 2.95 0.16 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.36 64.31 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.8 97.2 7.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.173 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.31 -1.149 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 -178.011 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.377 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -120.99 23.48 10.63 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 27.5 t -43.35 -52.22 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.639 0.776 . . . . 0.0 112.747 -175.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.87 -56.79 6.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -70.75 -26.63 63.45 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 45' ' ' LEU . 24.5 tp -87.89 2.64 51.01 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 7' ' ' THR . 9.5 m 66.7 17.01 10.53 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.807 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -72.64 -25.35 61.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 109.953 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.42 -30.62 71.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.939 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.31 77.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.727 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' CD ' ' HE3' ' A' ' 43' ' ' LYS . 9.6 tp10 -62.87 -41.51 99.42 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.3 mp -55.34 -47.33 75.86 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -65.29 -42.47 93.08 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.311 0.576 . . . . 0.0 109.904 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -54.22 -33.85 59.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.061 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 66.2 mt -92.59 -38.09 12.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.853 0.358 . . . . 0.0 111.395 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 13.2 tppt? -47.85 -25.3 1.25 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -66.79 -1.15 3.55 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 75.89 61.78 0.05 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.167 0.587 . . . . 0.0 110.539 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 19' ' ' ARG . 11.1 ttp180 -119.4 61.95 0.81 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 120.931 0.396 . . . . 0.0 110.674 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 77.88 -54.28 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.513 1.125 . . . . 0.0 113.176 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.85 -17.52 53.04 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.591 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 21.3 tp10 -63.09 -45.58 91.43 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.339 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.49 -40.78 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.643 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD22 HD12 ' A' ' 15' ' ' LEU . 63.5 tp -67.13 -44.56 79.54 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.13 -39.29 92.05 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.274 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 18.7 ttp180 -64.85 -44.1 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD11 ' ND1' ' A' ' 35' ' ' HIS . 47.3 tp -63.72 -41.87 98.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.092 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.56 -36.75 79.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.997 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -68.54 -42.74 78.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.741 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 44.6 mt-10 -65.15 -56.87 10.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.609 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -143.84 116.56 8.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 28.9 p80 -67.37 -20.57 65.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.96 0.41 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.08 -43.58 74.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.36 0.6 . . . . 0.0 109.849 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' ND1' HD11 ' A' ' 28' ' ' LEU . 11.5 t-160 -72.73 -21.34 61.04 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.644 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 33' ' ' HIS . 11.6 t70 -56.22 -53.31 58.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.758 177.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.44 -37.18 44.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.27 -39.77 94.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.335 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 tp10 -76.79 -41.49 44.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.065 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.49 83.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.006 0.432 . . . . 0.0 110.144 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 45' ' ' LEU . 44.8 tt0 -65.71 -48.79 70.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.644 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -62.04 -46.99 86.73 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 111.231 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HE2' HD21 ' A' ' 15' ' ' LEU . 64.6 tttp -63.23 -41.72 99.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.986 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 48' ' ' LYS . . . -64.07 -25.75 68.24 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 HD11 HD21 ' A' ' 6' ' ' LEU . 9.6 mp -89.78 -16.52 30.06 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 120.916 0.389 . . . . 0.0 111.278 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -86.61 -47.25 9.36 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.17 -26.43 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 24.1 ttmm 46.07 -87.43 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.3 mt -140.55 17.3 2.37 Favored 'General case' 0 C--O 1.231 0.125 0 O-C-N 122.086 -0.384 . . . . 0.0 110.395 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 107.27 1.35 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.128 0.49 . . . . 0.0 111.758 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.74 120.85 32.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.106 0.479 . . . . 0.0 110.428 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.009 -179.402 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.941 -0.464 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -70.83 -23.31 62.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.401 0.28 . . . . 0.0 111.657 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.4 p -77.83 65.68 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.663 0 CA-C-O 121.137 0.494 . . . . 0.0 111.616 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 62.72 17.47 9.83 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.953 -0.467 . . . . 0.0 111.554 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 33.6 mttp 54.19 44.61 28.87 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.681 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 8' ' ' ALA . 73.0 mt 71.78 18.44 5.16 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p 61.32 -10.52 0.06 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.696 1.199 . . . . 0.0 114.144 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -76.83 -32.5 57.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 25.0 t70 -60.37 -50.21 74.51 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.642 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -62.72 -28.54 70.02 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.762 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.092 0.473 . . . . 0.0 109.878 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 44' ' ' ALA . 4.5 pp -61.92 -34.88 76.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.675 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' HG2' ' HG2' ' A' ' 18' ' ' GLU . 29.1 tt0 -59.56 -32.3 70.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.576 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 82.6 mtp180 -64.12 -36.8 85.23 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.028 177.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -79.98 -43.8 21.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HB2' ' OE1' ' A' ' 21' ' ' GLU . 44.1 mmtm -67.61 -13.78 62.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.963 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 m120 78.7 12.55 1.46 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HG2' ' HG2' ' A' ' 13' ' ' GLN . 31.4 mt-10 59.64 36.44 22.57 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.546 0.212 . . . . 0.0 110.705 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -101.57 -78.36 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.79 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -67.97 -28.83 67.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.415 0.626 . . . . 0.0 109.693 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' OE1' ' HB2' ' A' ' 16' ' ' LYS . 28.2 mt-10 -58.59 -49.95 75.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.14 -51.06 61.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.83 76.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.61 -47.76 65.86 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.6 -48.8 75.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.669 0.271 . . . . 0.0 111.357 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.39 -28.66 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -68.42 -47.09 68.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.46 -42.09 96.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 36' ' ' ASP . 39.5 ttmt -62.61 -35.49 79.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.935 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -67.84 -37.94 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -72.37 -56.58 5.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.223 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -141.16 112.25 7.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -64.41 -29.03 70.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.292 0.568 . . . . 0.0 110.021 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.5 -48.08 76.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.839 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 79.4 t60 -60.59 -39.64 88.85 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.574 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 8.9 t70 -50.66 -52.38 40.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.916 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.1 tttt -49.8 -49.89 47.0 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -72.63 -19.71 61.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.973 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 45.6 mm-40 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.915 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' LYS . . . -64.19 -46.35 84.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.536 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 10.5 pt-20 -71.75 -35.3 70.07 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.688 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttp-105 -77.24 -22.81 51.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 52.6 tttm -50.96 -48.55 61.01 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.755 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HA ' HD21 ' A' ' 12' ' ' LEU . . . -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.777 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 49' ' ' LEU . 85.2 mt -77.2 -26.79 53.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.603 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -94.03 -5.3 47.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.652 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -105.46 -61.35 1.5 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.058 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 32.7 tptt -81.02 3.5 22.86 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.462 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 45' ' ' LEU . 4.5 mm? -91.5 -6.24 52.91 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.011 175.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.93 -58.71 1.83 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.994 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.71 152.35 19.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.156 0.503 . . . . 0.0 111.382 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.0 p90 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.366 -0.825 . . . . 0.0 110.45 177.5 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.018 0.437 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.46 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.144 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.14 -39.02 84.89 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.079 0.466 . . . . 0.0 110.566 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.63 -37.9 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -71.98 -41.78 67.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.542 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 43.4 mm-40 -66.14 -21.21 66.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.067 0.46 . . . . 0.0 110.983 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.11 91.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -78.09 -33.83 50.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.221 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' HD3' ' OE1' ' A' ' 39' ' ' GLU . 5.8 ttp-105 -56.27 -49.62 73.7 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.96 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 18.4 pttm -73.89 -19.81 60.59 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.082 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.61 87.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.813 0.339 . . . . 0.0 110.14 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -86.7 -16.14 37.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.174 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 41.0 tt0 -85.3 -58.06 2.83 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.307 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.536 -179.745 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -57.06 -34.73 68.54 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.11 -48.21 68.84 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.65 -49.55 62.33 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -62.82 -30.44 71.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 0.0 109.801 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.53 -32.77 60.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.722 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.71 -48.55 74.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 20.5 ptt180 -78.13 -35.95 48.46 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.443 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.6 -44.74 89.97 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.701 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -30.74 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.384 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.5 tp -74.87 -54.12 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 2.8 mm-40 -60.2 -37.27 79.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.432 0.634 . . . . 0.0 109.98 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.471 0.581 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.233 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -72.67 -39.66 66.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.91 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.19 -58.08 9.13 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -68.38 -29.89 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -59.68 -47.22 86.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.7 mt-10 -81.0 -46.41 15.1 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.232 177.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.12 -56.85 4.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.37 -40.42 94.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -88.36 -38.05 15.43 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 14.0 tptm -55.29 -56.53 18.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.43 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.72 50.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.549 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.1 -48.62 9.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.744 0.307 . . . . 0.0 111.677 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.27 -43.87 66.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--N 1.323 -0.55 0 C-N-CA 119.908 -0.717 . . . . 0.0 112.335 -174.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.926 0.393 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.46 -47.32 86.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.551 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.56 -29.65 70.15 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.764 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.58 -46.18 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.185 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.17 -39.76 93.37 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.05 -44.27 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.84 75.27 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.1 0.476 . . . . 0.0 110.25 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.98 -42.8 94.22 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.942 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.18 -48.28 82.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.883 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' OD2' ' A' ' 47' ' ' ASP . 52.5 tttm -53.87 -52.25 61.07 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.821 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.71 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.517 0.511 . . . . 0.0 111.748 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.15 -41.89 66.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.77 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -76.34 -29.46 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.384 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' OD2' ' HG2' ' A' ' 43' ' ' LYS . 7.9 m-20 . . . . . 0 CA--C 1.503 -0.855 0 O-C-N 123.634 0.584 . . . . 0.0 109.963 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.666 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 21.5 t70 . . . . . 0 N--CA 1.468 0.428 0 CA-C-O 121.106 0.479 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.89 -24.04 67.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.251 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.15 -56.63 17.74 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.972 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -67.92 -43.57 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 110.646 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.666 ' HD3' ' O ' ' A' ' 34' ' ' ASP . 4.4 mptp? -59.73 -47.89 83.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.843 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.81 -35.08 72.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.98 71.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -27.88 60.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.133 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -69.07 -50.64 46.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.706 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.27 -26.17 64.63 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.162 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.55 87.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.17 -34.73 73.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -71.05 -47.46 58.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.645 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--N 1.318 -0.761 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -176.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 121.045 0.45 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -67.27 -35.12 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.718 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.58 -53.21 40.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.757 176.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.19 -38.05 87.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.63 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -66.37 -47.96 71.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.875 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.439 ' CD ' HH21 ' A' ' 42' ' ' ARG . 6.0 tp10 -72.93 -46.31 53.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.805 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.66 -39.53 65.14 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -87.71 -34.03 18.53 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.198 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 HH21 ' CD ' ' A' ' 39' ' ' GLU . 31.0 ttp180 -63.65 -46.06 87.34 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.668 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.99 -50.31 73.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.175 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.05 79.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.005 0.431 . . . . 0.0 111.458 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.88 -35.71 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -86.54 -29.43 22.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.518 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 N--CA 1.471 0.575 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 -178.453 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 CA--C 1.516 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -75.43 -43.29 50.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.211 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.95 -55.48 26.66 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.768 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -56.57 -44.34 80.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.69 -36.34 78.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.74 -40.73 47.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -28.61 67.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 37.9 tt0 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.088 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.81 -33.12 72.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.798 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.78 -54.97 22.86 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.684 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.334 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 74.9 mt -71.2 -44.88 64.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.707 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.27 -35.71 68.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.314 -0.968 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.199 -178.563 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.709 0.29 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.56 -47.25 76.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.78 -45.34 82.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.123 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.2 tptt -62.41 -50.27 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.343 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.09 -37.82 88.83 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.447 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 42' ' ' ARG . 9.6 tp10 -68.0 -45.48 73.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.3 89.35 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 36.7 mm-40 -59.54 -35.24 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 110.488 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 39' ' ' GLU . 29.9 ttp180 -71.56 -48.19 50.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.548 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -62.5 -34.78 77.54 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.046 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.67 94.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.101 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.1 -41.62 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.932 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.52 -36.07 76.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.902 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--N 1.313 -0.983 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.4 178.847 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 121.36 0.6 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 11.5 t-160 -72.73 -21.34 61.04 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.644 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.22 -53.31 58.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.758 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.44 -37.18 44.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.27 -39.77 94.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.335 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 tp10 -76.79 -41.49 44.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.065 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.49 83.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.006 0.432 . . . . 0.0 110.144 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 45' ' ' LEU . 44.8 tt0 -65.71 -48.79 70.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.644 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -62.04 -46.99 86.73 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 111.231 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -63.23 -41.72 99.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.986 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.75 68.24 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 41' ' ' GLU . 9.6 mp -89.78 -16.52 30.06 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 120.916 0.389 . . . . 0.0 111.278 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -86.61 -47.25 9.36 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.566 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 121.109 0.48 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 79.4 t60 -60.59 -39.64 88.85 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.574 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.66 -52.38 40.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.916 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.1 tttt -49.8 -49.89 47.0 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -72.63 -19.71 61.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.973 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 45.6 mm-40 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.915 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' LYS . . . -64.19 -46.35 84.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.536 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 10.5 pt-20 -71.75 -35.3 70.07 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.688 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttp-105 -77.24 -22.81 51.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 52.6 tttm -50.96 -48.55 61.01 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.755 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.777 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -77.2 -26.79 53.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.603 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -94.03 -5.3 47.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.652 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.318 -0.804 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.058 -177.172 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 28' ' ' LEU . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -62.9 -21.82 66.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.571 0.348 . . . . 0.0 111.098 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.32 -44.82 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.607 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 51.71 53.62 12.38 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.595 0.358 . . . . 0.0 111.244 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.94 -68.15 0.23 Allowed 'General case' 0 C--N 1.345 0.38 0 CA-C-O 121.104 0.478 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 pp -132.12 4.95 4.12 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -102.04 27.54 6.51 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.193 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -56.74 -37.19 70.66 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.9 0.381 . . . . 0.0 110.36 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.41 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 7.7 p-10 -63.22 -33.47 75.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.421 0.629 . . . . 0.0 110.34 178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.266 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.69 ' OE2' ' HD2' ' A' ' 14' ' ' ARG . 6.7 tp10 -63.53 -35.16 79.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.5 mt -60.36 -54.56 44.18 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.233 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.519 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 34.3 mt-30 -66.01 -21.69 66.41 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.322 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HD2' ' OE2' ' A' ' 11' ' ' GLU . 45.2 ttm180 -69.22 -34.61 75.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.252 0.549 . . . . 0.0 109.567 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -74.44 -31.89 62.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 56.8 tttp -56.67 -39.93 74.64 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.037 175.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.411 ' OD1' ' HA ' ' A' ' 14' ' ' ARG . 2.5 p-10 -88.2 60.06 5.57 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.861 0.838 . . . . 0.0 109.924 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.61 -23.63 59.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.835 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -73.21 1.71 8.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.784 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -162.1 21.97 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.864 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 6.8 pt-20 -73.34 -45.8 53.08 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 11.3 pt-20 -64.93 -20.82 66.66 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.597 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -84.2 -47.52 10.74 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' CD ' HH12 ' A' ' 42' ' ' ARG . 52.7 tt0 -69.85 -46.67 65.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.607 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.6 tp -58.43 -53.05 62.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.621 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.07 -41.17 82.79 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.345 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 74.9 mtp180 -59.8 -50.65 72.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 110.731 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 1' ' ' GLY . 57.3 mt -60.45 -29.29 68.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.385 -177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 57.4 mtpt -62.13 -44.52 96.45 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.124 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -87.73 -38.69 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.705 0.288 . . . . 0.0 111.479 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -76.5 152.48 36.07 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -39.46 150.48 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -65.1 -32.71 74.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.903 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.73 -25.24 67.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.46 -23.39 67.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.144 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.14 -39.02 84.89 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.079 0.466 . . . . 0.0 110.566 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.63 -37.9 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -71.98 -41.78 67.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.542 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 43.4 mm-40 -66.14 -21.21 66.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.067 0.46 . . . . 0.0 110.983 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.11 91.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -78.09 -33.83 50.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.221 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.469 HH12 ' CD ' ' A' ' 24' ' ' GLU . 5.8 ttp-105 -56.27 -49.62 73.7 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.96 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 18.4 pttm -73.89 -19.81 60.59 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.082 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.61 87.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.813 0.339 . . . . 0.0 110.14 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.0 mt -86.7 -16.14 37.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.174 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 41.0 tt0 -85.3 -58.06 2.83 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.307 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.577 ' OD2' ' HG3' ' A' ' 48' ' ' LYS . 13.5 t70 -66.48 -45.86 78.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.536 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HG3' ' OD2' ' A' ' 47' ' ' ASP . 36.5 mtmm -131.04 -174.99 3.54 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.88 -52.37 65.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.57 156.98 8.38 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.088 0.471 . . . . 0.0 111.517 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.78 95.18 4.81 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.9 t80 . . . . . 0 C--N 1.309 -1.173 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.675 -178.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.058 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -77.76 89.57 4.01 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.722 0.296 . . . . 0.0 110.543 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.06 -50.47 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.427 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -150.19 -91.14 0.07 Allowed 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.684 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 46.93 37.73 5.3 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 71.6 mt 77.65 -9.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.44 0.696 . . . . 0.0 112.307 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.1 m 75.76 -53.7 0.63 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.298 1.039 . . . . 0.0 112.173 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.6 -47.13 12.46 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.769 0.795 . . . . 0.0 110.522 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 39.4 m-20 -72.73 -20.75 61.15 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.54 -28.68 69.5 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.358 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -66.46 -41.3 89.25 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 4.8 mp -61.43 -45.95 92.13 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.126 -0.943 . . . . 0.0 108.84 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.598 ' OE1' ' HG ' ' A' ' 49' ' ' LEU . 14.3 mm100 -66.35 -17.74 64.95 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.212 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.447 ' HA ' ' HB2' ' A' ' 17' ' ' ASN . 41.4 ttm180 -78.27 -25.62 46.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.167 0.508 . . . . 0.0 110.19 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.11 -42.3 72.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.504 0.668 . . . . 0.0 109.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -87.64 -12.62 44.99 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.399 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' HB2' ' HA ' ' A' ' 14' ' ' ARG . 40.6 t30 -54.26 122.83 11.16 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.112 -178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.46 4.73 26.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.434 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' H ' ' CG ' ' A' ' 17' ' ' ASN . 55.8 ttm-85 74.91 44.1 0.2 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.413 1.085 . . . . 0.0 110.814 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -130.38 29.24 4.88 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.128 -0.357 . . . . 0.0 111.216 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.9 -44.27 96.55 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.014 0.435 . . . . 0.0 110.17 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.57 -41.78 90.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.884 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.91 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.77 -47.94 81.08 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.022 0.439 . . . . 0.0 110.176 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.13 -40.92 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.69 -48.86 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.749 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -62.74 -39.41 94.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.72 -40.11 82.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.849 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -80.25 -33.79 37.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.834 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.1 m -61.74 -48.1 82.23 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.936 0.398 . . . . 0.0 110.686 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 10.5 mm-40 -70.76 145.33 50.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.741 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -87.65 -92.58 0.1 Allowed 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.035 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -65.56 -20.58 66.39 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 31' ' ' GLU . 6.1 m-20 -68.32 -15.84 63.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.545 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -57.06 -34.73 68.54 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.11 -48.21 68.84 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.65 -49.55 62.33 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -62.82 -30.44 71.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 0.0 109.801 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.53 -32.77 60.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.722 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.71 -48.55 74.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 20.5 ptt180 -78.13 -35.95 48.46 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.443 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.6 -44.74 89.97 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.701 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -30.74 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.384 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.5 tp -74.87 -54.12 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 2.8 mm-40 -60.2 -37.27 79.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.432 0.634 . . . . 0.0 109.98 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.48 -42.88 93.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.233 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -69.53 -25.49 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.52 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HG ' ' OE1' ' A' ' 13' ' ' GLN . 4.6 mm? -73.49 -35.17 65.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.975 0.417 . . . . 0.0 109.99 176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.57 75.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.091 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -157.06 122.34 4.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.554 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 79.0 t80 . . . . . 0 C--N 1.314 -0.939 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.014 178.764 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -118.7 -72.4 0.69 Allowed 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.366 -0.49 . . . . 0.0 110.815 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.4 HG11 ' NH2' ' A' ' 14' ' ' ARG . 7.7 p -98.2 -3.24 9.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.405 0.621 . . . . 0.0 110.618 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -79.31 21.96 0.45 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.617 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -97.11 32.64 2.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.695 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.5 tp 67.46 33.09 5.39 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 121.861 0.839 . . . . 0.0 108.8 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.519 HG21 ' HB1' ' A' ' 40' ' ' ALA . 13.5 p -113.84 46.58 1.29 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.873 -178.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.59 -21.42 38.89 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.31 -29.3 70.34 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.291 0.567 . . . . 0.0 110.337 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 -32.88 64.52 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.676 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.608 ' HG2' ' NH2' ' A' ' 14' ' ' ARG . 49.9 mt-10 -66.84 -30.86 71.15 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.89 -43.73 87.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.458 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -76.19 -16.74 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.915 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.608 ' NH2' ' HG2' ' A' ' 11' ' ' GLU . 23.3 ttm180 -71.86 -45.55 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.4 tp -73.64 -32.43 64.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.339 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -76.64 -21.38 55.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.742 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.17 39.14 0.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.099 1.359 . . . . 0.0 114.193 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' H ' ' A' ' 19' ' ' ARG . 10.8 pt-20 -68.49 -66.73 0.53 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.517 ' H ' ' HG3' ' A' ' 18' ' ' GLU . 99.4 mtt180 -110.22 3.39 19.99 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 54.75 44.36 28.63 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -51.93 -30.79 25.9 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -1.08 . . . . 0.0 112.202 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.13 -37.09 83.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.64 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.07 74.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.551 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.86 -28.08 65.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -71.4 -43.36 66.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.53 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -58.43 -22.05 53.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.0 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -58.16 -31.64 67.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.276 0.56 . . . . 0.0 109.569 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 9.1 mp -72.83 -39.35 66.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.375 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -54.46 -47.68 72.64 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.935 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 p -65.47 -26.02 67.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.243 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.34 -64.61 1.15 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.5 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -163.55 122.63 2.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.467 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -59.25 -31.97 69.57 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.751 -176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.62 -46.79 83.67 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -72.67 -39.66 66.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.91 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HA ' ' HB3' ' A' ' 28' ' ' LEU . 9.8 t70 -55.19 -58.08 9.13 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.561 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -68.38 -29.89 68.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.323 . . . . 0.0 111.12 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -59.68 -47.22 86.47 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.7 mt-10 -81.0 -46.41 15.1 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.232 177.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 7' ' ' THR . . . -45.12 -56.85 4.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.37 -40.42 94.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -88.36 -38.05 15.43 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 14.0 tptm -55.29 -56.53 18.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.43 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . . . -80.73 -17.72 50.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.549 -175.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 tp -85.1 -48.62 9.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.744 0.307 . . . . 0.0 111.677 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.27 -43.87 66.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 22.3 t70 -140.74 10.3 2.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.908 -0.717 . . . . 0.0 112.335 -174.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 42.0 mmtm 66.88 -57.61 0.41 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 122.221 -0.299 . . . . 0.0 111.68 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.25 -52.91 3.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.3 24.15 13.6 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.523 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -97.82 132.16 43.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.314 -0.944 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.036 -179.433 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.829 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -105.3 169.28 8.54 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.72 101.28 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 70.33 79.29 0.18 Allowed 'General case' 0 C--N 1.369 1.427 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HB2' ' OD1' ' A' ' 9' ' ' ASP . 71.5 mttt -61.44 -77.9 0.04 OUTLIER 'General case' 0 C--N 1.349 0.566 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 7' ' ' THR . 7.9 mp -118.39 18.99 13.53 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.657 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 6' ' ' LEU . 86.2 m 76.18 -44.37 0.49 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.423 0.689 . . . . 0.0 111.772 177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -72.04 -46.73 55.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.484 0.659 . . . . 0.0 109.486 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 4.4 p30 -74.04 -21.8 59.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.371 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -61.59 -49.53 76.26 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.672 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 34.5 tt0 -62.19 -44.1 97.35 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.1 mp -56.23 -47.49 78.37 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.763 178.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 29.8 mm-40 -62.07 -38.71 89.85 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.408 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 78.2 mtp180 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 110.324 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.5 mt -73.97 -40.01 63.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.712 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -60.03 -29.58 68.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.781 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 72.37 7.06 5.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.416 0.686 . . . . 0.0 110.679 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -103.76 39.38 1.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.005 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -71.6 3.18 4.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.601 0.715 . . . . 0.0 110.329 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -62.47 -18.6 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.947 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -56.27 -33.73 65.77 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.266 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -41.66 97.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.143 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.29 -27.3 65.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.174 0.512 . . . . 0.0 110.35 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.99 -35.16 69.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.54 -25.47 64.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.145 0.498 . . . . 0.0 109.893 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -66.66 -33.86 76.57 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.59 -17.63 64.73 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.991 -1.004 . . . . 0.0 112.179 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.9 tp -48.47 -26.85 2.33 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.31 -39.88 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.861 178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.62 -38.67 47.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 0.0 110.156 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.18 -165.89 1.21 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -110.77 -175.67 2.77 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.149 0.499 . . . . 0.0 111.207 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -67.34 -19.81 65.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.494 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.46 -36.99 77.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.46 -47.32 86.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.551 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -61.56 -29.65 70.15 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.764 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.58 -46.18 33.37 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.185 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -65.17 -39.76 93.37 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.515 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.05 -44.27 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.84 75.27 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.1 0.476 . . . . 0.0 110.25 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.98 -42.8 94.22 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.942 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.18 -48.28 82.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.883 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' OD2' ' A' ' 47' ' ' ASP . 52.5 tttm -53.87 -52.25 61.07 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.821 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.71 65.69 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.517 0.511 . . . . 0.0 111.748 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.15 -41.89 66.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.77 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -76.34 -29.46 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.384 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' OD2' ' HG2' ' A' ' 43' ' ' LYS . 7.9 m-20 -51.75 -61.65 2.12 Favored 'General case' 0 CA--C 1.503 -0.855 0 O-C-N 123.634 0.584 . . . . 0.0 109.963 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 37.1 ttpt 62.91 16.26 9.02 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.803 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' ' 47' ' ' ASP . 3.4 mm? -71.59 -39.78 70.33 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.154 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 57.55 39.2 27.95 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.038 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 61.81 72.89 0.49 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.042 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.8 t80 . . . . . 0 C--O 1.244 0.797 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.288 -178.163 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.794 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -119.96 4.63 10.92 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.045 0.45 . . . . 0.0 110.809 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -112.67 21.47 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 121.921 0.867 . . . . 0.0 109.976 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -41.41 99.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.972 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt 72.39 -46.78 0.65 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.833 1.253 . . . . 0.0 112.689 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' HB2' ' HB1' ' A' ' 40' ' ' ALA . 3.4 mm? -129.2 -20.45 3.38 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.728 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -89.53 37.2 0.86 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -23.78 21.56 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.957 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 m-20 -61.74 -29.83 70.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.669 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.48 87.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.8 -45.5 89.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.455 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.82 -33.73 75.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.431 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 79.1 mt-30 -69.52 -32.83 71.91 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.949 0.404 . . . . 0.0 110.624 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 40.0 ttp180 -66.07 -31.39 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.27 0.557 . . . . 0.0 109.598 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 tp -72.11 -37.93 69.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.806 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.47 -21.05 63.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -164.4 -73.89 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.185 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 7.8 tp10 175.01 -80.05 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.345 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 65.0 81.9 0.2 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 122.859 0.464 . . . . 0.0 111.001 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.55 -6.85 16.57 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 122.156 -0.34 . . . . 0.0 111.03 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.26 -31.3 65.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.875 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -59.21 -52.36 66.02 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.907 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.51 78.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.2 -51.38 69.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.917 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.45 -35.21 54.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.618 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.52 -33.02 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.798 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -57.37 -47.51 81.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.0 -36.48 84.1 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 8.3 mtpm? -63.26 -35.22 79.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.643 177.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -77.52 -45.22 26.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.993 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -74.44 -29.28 61.41 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.42 100.7 6.95 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.154 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 20.2 t60 -58.51 -36.07 73.24 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.723 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.666 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 21.5 t70 -67.83 -48.51 65.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.0 109.911 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.89 -24.04 67.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.251 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.1 t70 -55.15 -56.63 17.74 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.972 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -67.92 -43.57 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.849 0.357 . . . . 0.0 110.646 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.666 ' HD3' ' O ' ' A' ' 34' ' ' ASP . 4.4 mptp? -59.73 -47.89 83.87 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.843 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.81 -35.08 72.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.787 0.327 . . . . 0.0 110.415 -177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -59.12 -50.98 71.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -27.88 60.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.133 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -69.07 -50.64 46.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.706 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.27 -26.17 64.63 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.162 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.55 87.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -70.17 -34.73 73.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -71.05 -47.46 58.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.645 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.98 -40.09 54.54 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -74.77 -23.54 58.54 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.029 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.3 tp 59.33 20.25 8.47 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.605 0.717 . . . . 0.0 110.586 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.67 157.58 43.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.693 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.33 -17.25 35.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.747 0.308 . . . . 0.0 111.053 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.171 -178.335 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.289 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -68.56 59.36 0.09 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.346 0.658 . . . . 0.0 112.103 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.49 -21.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.506 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -176.06 -31.49 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.356 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -87.24 5.85 36.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 9' ' ' ASP . 55.6 tp -56.17 -38.14 70.52 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.143 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.5 m -46.75 -47.81 20.62 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.989 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -79.14 -46.51 17.82 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.432 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . 52.0 m-20 -54.49 -31.6 56.21 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.599 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -38.26 56.38 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.79 -46.07 26.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 48' ' ' LYS . 2.8 mp -59.36 -60.59 3.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.259 179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.06 -18.9 65.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.671 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -77.85 -45.77 23.35 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.964 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.21 -43.05 99.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.016 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -80.15 -13.98 58.84 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.877 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.18 62.03 2.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.768 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -83.21 -79.72 0.19 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.375 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 52.34 34.12 14.25 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.388 0.613 . . . . 0.0 111.613 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 83.4 m-70 -125.46 -0.33 7.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.701 176.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.67 -29.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.547 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.47 -35.23 77.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.29 -44.17 68.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.968 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 20' ' ' HIS . 37.2 mt-10 -65.73 -30.71 71.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 33.9 tp -57.8 -44.55 86.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.027 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.74 -38.3 89.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -62.5 -40.69 97.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.78 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 88.6 mt -65.55 -46.34 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.829 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.0 mmtt -61.88 -31.82 72.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.461 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 t -77.7 -40.75 40.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.301 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -77.66 -59.51 2.75 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -163.41 120.88 1.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.555 0.217 . . . . 0.0 110.76 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 73.6 m80 -61.53 -34.46 75.58 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.835 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.14 -44.75 91.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.045 0.45 . . . . 0.0 110.674 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -67.27 -35.12 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.718 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 33' ' ' HIS . 2.9 t70 -51.58 -53.21 40.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.757 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -62.19 -38.05 87.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.63 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -66.37 -47.96 71.7 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.875 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.439 ' CD ' HH21 ' A' ' 42' ' ' ARG . 6.0 tp10 -72.93 -46.31 53.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.805 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.66 -39.53 65.14 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -87.71 -34.03 18.53 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.198 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 HH21 ' CD ' ' A' ' 39' ' ' GLU . 31.0 ttp180 -63.65 -46.06 87.34 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.668 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.99 -50.31 73.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.175 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.05 79.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.005 0.431 . . . . 0.0 111.458 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.88 -35.71 82.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.436 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -86.54 -29.43 22.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.518 -177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.71 -44.13 87.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB3' HD21 ' A' ' 12' ' ' LEU . 20.9 pttp -99.25 165.84 11.5 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.24 5.71 9.14 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.038 0.447 . . . . 0.0 110.484 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.24 159.13 15.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.08 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.7 162.48 26.15 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.39 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.603 -179.313 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 CA-C-O 120.376 -0.125 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.509 ' HA ' HD23 ' A' ' 6' ' ' LEU . 16.5 m -58.46 -60.34 3.94 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.44 -13.11 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 5' ' ' LYS . 9.9 pt-20 -120.41 -55.88 2.01 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' HG3' ' A' ' 4' ' ' GLU . 95.2 mttt -76.56 -41.93 44.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.771 0.32 . . . . 0.0 111.546 -176.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 2' ' ' SER . 4.2 mm? -75.26 -31.02 60.65 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.926 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -78.07 -14.41 59.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -52.5 65.18 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.24 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -76.72 -23.63 53.07 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.259 0.552 . . . . 0.0 110.748 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.06 -56.03 10.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.057 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.11 -55.36 21.33 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.796 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.708 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.426 ' HD2' ' OXT' ' A' ' 52' ' ' TYR . 26.8 ttp180 -72.43 -43.57 63.64 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.533 0.206 . . . . 0.0 110.835 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.59 -39.58 84.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 111.298 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -86.76 -12.69 47.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.2 t30 62.22 38.08 13.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.712 -176.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 58.07 171.59 0.05 Allowed 'General case' 0 CA--C 1.562 1.435 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.028 -175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -75.83 19.0 0.22 Allowed 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -66.76 -37.97 85.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.937 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -54.75 -49.86 69.8 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.574 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.68 -36.36 67.03 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -47.45 70.28 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.769 0.319 . . . . 0.0 111.238 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.61 -45.65 64.87 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.938 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' O ' HD22 ' A' ' 28' ' ' LEU . 4.3 mm? -57.76 -34.38 69.5 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.031 0.443 . . . . 0.0 111.197 178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.46 -21.53 63.71 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.59 0.756 . . . . 0.0 111.573 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -54.95 -21.76 12.83 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 25' ' ' LEU . 1.6 pt? -59.94 -14.65 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.8 -53.81 9.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.975 0.417 . . . . 0.0 110.585 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 p -91.66 -12.71 33.35 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -129.01 164.42 23.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -66.68 138.7 57.61 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 122.782 0.433 . . . . 0.0 110.441 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -65.88 -20.68 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.093 0.473 . . . . 0.0 110.406 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.48 -39.04 86.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.087 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -75.43 -43.29 50.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.211 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' HA ' ' A' ' 25' ' ' LEU . 6.3 t70 -53.95 -55.48 26.66 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.768 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -56.57 -44.34 80.91 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -68.69 -36.34 78.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.74 -40.73 47.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.925 0.393 . . . . 0.0 110.748 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -28.61 67.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 37.9 tt0 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.088 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.81 -33.12 72.54 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.798 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.78 -54.97 22.86 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.684 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.334 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 74.9 mt -71.2 -44.88 64.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.707 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.27 -35.71 68.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.7 -66.67 0.56 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.199 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 41.5 mmtm 49.48 51.76 15.79 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 93.6 mt 82.41 -49.64 0.19 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.765 1.226 . . . . 0.0 110.866 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -159.69 117.88 2.74 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.788 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.23 -44.83 19.05 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.396 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' OXT' ' HD2' ' A' ' 14' ' ' ARG . 98.5 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.211 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 N-CA-C 112.277 -0.329 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m 64.71 9.89 5.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.394 0.678 . . . . 0.0 112.323 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.524 HG12 HH22 ' A' ' 27' ' ' ARG . 32.6 m -64.66 -21.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 120.966 0.413 . . . . 0.0 111.115 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -70.27 -16.16 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -81.8 -19.58 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.409 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 9' ' ' ASP . 1.1 pt? -126.53 38.55 4.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.154 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 8' ' ' ALA . 4.9 t -71.14 -66.74 0.58 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.565 ' H ' HG23 ' A' ' 7' ' ' THR . . . -78.61 -32.31 47.44 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.692 0.758 . . . . 0.0 109.676 175.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.636 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 2.9 m-20 -61.28 -20.09 62.48 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.175 178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 20' ' ' HIS . . . -55.37 -45.73 76.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.369 178.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.76 -39.77 94.17 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.67 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.96 -44.05 86.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.1 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 40.4 mt-30 -66.81 -33.32 75.36 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.369 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -63.11 -32.67 74.1 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -86.55 -52.91 5.28 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.779 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -79.25 -34.03 43.04 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -174.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 2.3 m-20 -86.41 -26.52 24.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.599 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 35.4 tt0 65.5 10.34 6.54 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.775 177.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 19' ' ' ARG . 15.1 ttp180 -151.61 29.49 0.61 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.411 0.624 . . . . 0.0 109.947 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CE1' ' HB1' ' A' ' 10' ' ' ALA . 20.9 t-80 -55.63 -57.96 9.78 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -54.67 -41.96 70.78 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.59 -53.45 13.68 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.594 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.97 80.55 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.859 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.86 -48.2 77.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.912 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.17 -52.02 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 19.1 tp10 -61.35 -39.55 90.99 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.204 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.524 HH22 HG12 ' A' ' 3' ' ' VAL . 23.6 ttt-85 -54.0 -42.32 68.93 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.049 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.1 tp -78.1 -35.6 49.07 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.149 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 45.8 mtpt -53.98 -49.17 69.39 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 110.074 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 p -86.17 -21.73 27.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.139 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 61.72 47.73 6.08 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.313 1.054 . . . . 0.0 108.433 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -85.15 95.65 9.21 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.708 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -68.25 -19.1 64.7 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.237 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.44 -32.48 70.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.386 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.56 -47.25 76.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.78 -45.34 82.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.123 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.2 tptt -62.41 -50.27 72.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.343 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.09 -37.82 88.83 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.447 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 42' ' ' ARG . 9.6 tp10 -68.0 -45.48 73.98 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.3 89.35 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 36.7 mm-40 -59.54 -35.24 73.84 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 110.488 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 39' ' ' GLU . 29.9 ttp180 -71.56 -48.19 50.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.548 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -62.5 -34.78 77.54 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.046 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.67 94.25 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.101 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.1 -41.62 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.932 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.52 -36.07 76.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.902 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -75.49 -30.35 59.85 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.4 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -83.06 9.57 10.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.238 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.77 2.95 0.16 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.11 -30.36 64.31 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -106.8 97.2 7.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.173 174.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.31 -1.149 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 -178.011 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.377 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -120.99 23.48 10.63 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 27.5 t -43.35 -52.22 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.639 0.776 . . . . 0.0 112.747 -175.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.87 -56.79 6.82 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -70.75 -26.63 63.45 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 45' ' ' LEU . 24.5 tp -87.89 2.64 51.01 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 7' ' ' THR . 9.5 m 66.7 17.01 10.53 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.807 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -72.64 -25.35 61.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 109.953 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.42 -30.62 71.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.939 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.98 -36.31 77.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.727 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' CD ' ' HE3' ' A' ' 43' ' ' LYS . 9.6 tp10 -62.87 -41.51 99.42 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.3 mp -55.34 -47.33 75.86 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -65.29 -42.47 93.08 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.311 0.576 . . . . 0.0 109.904 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -54.22 -33.85 59.29 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.061 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 66.2 mt -92.59 -38.09 12.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 120.853 0.358 . . . . 0.0 111.395 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 13.2 tppt? -47.85 -25.3 1.25 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -66.79 -1.15 3.55 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 75.89 61.78 0.05 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.167 0.587 . . . . 0.0 110.539 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 19' ' ' ARG . 11.1 ttp180 -119.4 61.95 0.81 Allowed 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 120.931 0.396 . . . . 0.0 110.674 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 77.88 -54.28 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.513 1.125 . . . . 0.0 113.176 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.85 -17.52 53.04 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.591 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 21.3 tp10 -63.09 -45.58 91.43 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.05 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.339 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.49 -40.78 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.643 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD22 HD12 ' A' ' 15' ' ' LEU . 63.5 tp -67.13 -44.56 79.54 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.13 -39.29 92.05 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.274 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 18.7 ttp180 -64.85 -44.1 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD11 ' ND1' ' A' ' 35' ' ' HIS . 47.3 tp -63.72 -41.87 98.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.092 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.56 -36.75 79.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.997 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.1 t -68.54 -42.74 78.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.741 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 44.6 mt-10 -65.15 -56.87 10.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.609 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -143.84 116.56 8.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.797 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 28.9 p80 -67.37 -20.57 65.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.96 0.41 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.08 -43.58 74.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.36 0.6 . . . . 0.0 109.849 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' ND1' HD11 ' A' ' 28' ' ' LEU . 11.5 t-160 -72.73 -21.34 61.04 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.644 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 33' ' ' HIS . 11.6 t70 -56.22 -53.31 58.65 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.758 177.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -78.44 -37.18 44.32 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.27 -39.77 94.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.335 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 tp10 -76.79 -41.49 44.4 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.065 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.49 83.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.006 0.432 . . . . 0.0 110.144 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 45' ' ' LEU . 44.8 tt0 -65.71 -48.79 70.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.644 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -62.04 -46.99 86.73 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 111.231 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HE2' HD21 ' A' ' 15' ' ' LEU . 64.6 tttp -63.23 -41.72 99.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.986 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 48' ' ' LYS . . . -64.07 -25.75 68.24 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.001 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 HD11 HD21 ' A' ' 6' ' ' LEU . 9.6 mp -89.78 -16.52 30.06 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 120.916 0.389 . . . . 0.0 111.278 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -86.61 -47.25 9.36 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.607 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.17 -26.43 4.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 24.1 ttmm 46.07 -87.43 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.3 mt -140.55 17.3 2.37 Favored 'General case' 0 C--O 1.231 0.125 0 O-C-N 122.086 -0.384 . . . . 0.0 110.395 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 107.27 1.35 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.128 0.49 . . . . 0.0 111.758 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -124.74 120.85 32.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.106 0.479 . . . . 0.0 110.428 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.009 -179.402 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.941 -0.464 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -70.83 -23.31 62.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.401 0.28 . . . . 0.0 111.657 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.4 p -77.83 65.68 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.663 0 CA-C-O 121.137 0.494 . . . . 0.0 111.616 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 62.72 17.47 9.83 Favored 'General case' 0 C--N 1.36 1.049 0 O-C-N 121.953 -0.467 . . . . 0.0 111.554 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 33.6 mttp 54.19 44.61 28.87 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.681 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 8' ' ' ALA . 73.0 mt 71.78 18.44 5.16 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.284 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.4 p 61.32 -10.52 0.06 Allowed 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.696 1.199 . . . . 0.0 114.144 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 6' ' ' LEU . . . -76.83 -32.5 57.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 25.0 t70 -60.37 -50.21 74.51 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.642 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -62.72 -28.54 70.02 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.762 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -76.37 -51.68 11.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.092 0.473 . . . . 0.0 109.878 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 44' ' ' ALA . 4.5 pp -61.92 -34.88 76.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.675 176.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' HG2' ' HG2' ' A' ' 18' ' ' GLU . 29.1 tt0 -59.56 -32.3 70.22 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.576 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 82.6 mtp180 -64.12 -36.8 85.23 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.028 177.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -79.98 -43.8 21.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HB2' ' OE1' ' A' ' 21' ' ' GLU . 44.1 mmtm -67.61 -13.78 62.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.963 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.8 m120 78.7 12.55 1.46 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' HG2' ' HG2' ' A' ' 13' ' ' GLN . 31.4 mt-10 59.64 36.44 22.57 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.546 0.212 . . . . 0.0 110.705 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -101.57 -78.36 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.985 -0.686 . . . . 0.0 111.79 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -67.97 -28.83 67.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.415 0.626 . . . . 0.0 109.693 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' OE1' ' HB2' ' A' ' 16' ' ' LYS . 28.2 mt-10 -58.59 -49.95 75.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.14 -51.06 61.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.83 76.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -177.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.61 -47.76 65.86 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.6 -48.8 75.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.669 0.271 . . . . 0.0 111.357 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -64.39 -28.66 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -68.42 -47.09 68.15 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.46 -42.09 96.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 36' ' ' ASP . 39.5 ttmt -62.61 -35.49 79.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.935 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -67.84 -37.94 82.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -72.37 -56.58 5.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.106 0.479 . . . . 0.0 110.223 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -141.16 112.25 7.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.513 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -64.41 -29.03 70.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.292 0.568 . . . . 0.0 110.021 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.5 -48.08 76.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.839 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 79.4 t60 -60.59 -39.64 88.85 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.574 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 8.9 t70 -50.66 -52.38 40.28 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.916 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.1 tttt -49.8 -49.89 47.0 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -72.63 -19.71 61.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.973 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 45.6 mm-40 -87.99 -41.09 13.37 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.915 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' LYS . . . -64.19 -46.35 84.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.536 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 10.5 pt-20 -71.75 -35.3 70.07 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.688 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.1 ttp-105 -77.24 -22.81 51.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 52.6 tttm -50.96 -48.55 61.01 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.755 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HA ' HD21 ' A' ' 12' ' ' LEU . . . -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.777 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 49' ' ' LEU . 85.2 mt -77.2 -26.79 53.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.603 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -94.03 -5.3 47.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.652 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -105.46 -61.35 1.5 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.058 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 32.7 tptt -81.02 3.5 22.86 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 120.292 -0.563 . . . . 0.0 112.462 -173.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 45' ' ' LEU . 4.5 mm? -91.5 -6.24 52.91 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.011 175.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.93 -58.71 1.83 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.994 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.71 152.35 19.76 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.156 0.503 . . . . 0.0 111.382 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.0 p90 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.366 -0.825 . . . . 0.0 110.45 177.5 . . . . . . . . 0 0 . 1 stop_ save_